6-chloro-3-iodo-1-(oxan-2-yl)pyrazolo[3,4-b]pyrazine;1-[6-chloro-1-(oxan-2-yl)pyrazolo[3,4-b]pyrazin-3-yl]-3,4-dihydro-2H-1,5-naphthyridine;[4-[3-(3,4-dihydro-2H-1,5-naphthyridin-1-yl)-1-(oxan-2-yl)pyrazolo[3,4-b]pyrazin-6-yl]-1-methylcyclohex-3-en-1-yl]methanamine;[(1S)-4-[7-(3,4-dihydro-2H-1,5-naphthyridin-1-yl)-5H-pyrrolo[3,4-b]pyrazin-3-yl]-1-methylcyclohex-3-en-1-yl]methanamine;[(1R)-4-[7-(3,4-dihydro-2H-1,5-naphthyridin-1-yl)-5H-pyrrolo[3,4-b]pyrazin-3-yl]-1-methylcyclohex-3-en-1-yl]methanamine;[4-[7-(3,4-dihydro-2H-1,5-naphthyridin-1-yl)-5H-pyrrolo[3,4-b]pyrazin-3-yl]-1-methylcyclohex-3-en-1-yl]methanamine;2-(4-isocyanocyclohexen-1-yl)-4,4,5,5-tetramethyl-1,3,2-dioxaborolane;1-[6-(4-isocyano-4-methylcyclohexen-1-yl)-1-(oxan-2-yl)pyrazolo[3,4-b]pyrazin-3-yl]-3,4-dihydro-2H-1,5-naphthyridine;2-(4-isocyano-4-methylcyclohexen-1-yl)-4,4,5,5-tetramethyl-1,3,2-dioxaborolane

C173H211B2Cl2IN44O8 — CID 159104185

IUPAC6-chloro-3-iodo-1-(oxan-2-yl)pyrazolo[3,4-b]pyrazine;1-[6-chloro-1-(oxan-2-yl)pyrazolo[3,4-b]pyrazin-3-yl]-3,4-dihydro-2H-1,5-naphthyridine;[4-[3-(3,4-dihydro-2H-1,5-naphthyridin-1-yl)-1-(oxan-2-yl)pyrazolo[3,4-b]pyrazin-6-yl]-1-methylcyclohex-3-en-1-yl]methanamine;[(1S)-4-[7-(3,4-dihydro-2H-1,5-naphthyridin-1-yl)-5H-pyrrolo[3,4-b]pyrazin-3-yl]-1-methylcyclohex-3-en-1-yl]methanamine;[(1R)-4-[7-(3,4-dihydro-2H-1,5-naphthyridin-1-yl)-5H-pyrrolo[3,4-b]pyrazin-3-yl]-1-methylcyclohex-3-en-1-yl]methanamine;[4-[7-(3,4-dihydro-2H-1,5-naphthyridin-1-yl)-5H-pyrrolo[3,4-b]pyrazin-3-yl]-1-methylcyclohex-3-en-1-yl]methanamine;2-(4-isocyanocyclohexen-1-yl)-4,4,5,5-tetramethyl-1,3,2-dioxaborolane;1-[6-(4-isocyano-4-methylcyclohexen-1-yl)-1-(oxan-2-yl)pyrazolo[3,4-b]pyrazin-3-yl]-3,4-dihydro-2H-1,5-naphthyridine;2-(4-isocyano-4-methylcyclohexen-1-yl)-4,4,5,5-tetramethyl-1,3,2-dioxaborolane
SMILESCC1(CN)CC=C(c2cnc3c(N4CCCc5ncccc54)nn(C4CCCCO4)c3n2)CC1.CC1(CN)CC=C(c2cnc3c(n2)CN=C3N2CCCc3ncccc32)CC1.C[C@@]1(CN)CC=C(c2cnc3c(n2)CN=C3N2CCCc3ncccc32)CC1.C[C@]1(CN)CC=C(c2cnc3c(n2)CN=C3N2CCCc3ncccc32)CC1.Clc1cnc2c(I)nn(C3CCCCO3)c2n1.Clc1cnc2c(N3CCCc4ncccc43)nn(C3CCCCO3)c2n1.[C-]#[N+]C1(C)CC=C(B2OC(C)(C)C(C)(C)O2)CC1.[C-]#[N+]C1(C)CC=C(c2cnc3c(N4CCCc5ncccc54)nn(C4CCCCO4)c3n2)CC1.[C-]#[N+]C1CC=C(B2OC(C)(C)C(C)(C)O2)CC1
InChIInChI=1S/C26H29N7O.C26H33N7O.3C22H26N6.C18H19ClN6O.C14H22BNO2.C13H20BNO2.C10H10ClIN4O/c1-26(27-2)12-10-18(11-13-26)20-17-29-23-24(30-20)33(22-9-3-4-16-34-22)31-25(23)32-15-6-7-19-21(32)8-5-14-28-19;1-26(17-27)11-9-18(10-12-26)20-16-29-23-24(30-20)33(22-8-2-3-15-34-22)31-25(23)32-14-5-6-19-21(32)7-4-13-28-19;3*1-22(14-23)8-6-15(7-9-22)17-12-25-20-18(27-17)13-26-21(20)28-11-3-4-16-19(28)5-2-10-24-16;19-14-11-21-16-17(22-14)25(15-7-1-2-10-26-15)23-18(16)24-9-4-5-12-13(24)6-3-8-20-12;1-12(2)13(3,4)18-15(17-12)11-7-9-14(5,16-6)10-8-11;1-12(2)13(3,4)17-14(16-12)10-6-8-11(15-5)9-7-10;11-6-5-13-8-9(12)15-16(10(8)14-6)7-3-1-2-4-17-7/h5,8,10,14,17,22H,3-4,6-7,9,11-13,15-16H2,1H3;4,7,9,13,16,22H,2-3,5-6,8,10-12,14-15,17,27H2,1H3;3*2,5-6,10,12H,3-4,7-9,11,13-14,23H2,1H3;3,6,8,11,15H,1-2,4-5,7,9-10H2;7H,8-10H2,1-5H3;6,11H,7-9H2,1-4H3;5,7H,1-4H2/t;;2*22-;;;;;/m..10...../s1
InChIKeyKDQZZJQBTCOPMO-ZSAUWMFWSA-N
MW3254.32 g/mol
LogP32.00
Rot. Bonds18

About 6-chloro-3-iodo-1-(oxan-2-yl)pyrazolo[3,4-b]pyrazine;1-[6-chloro-1-(oxan-2-yl)pyrazolo[3,4-b]pyrazin-3-yl]-3,4-dihydro-2H-1,5-naphthyridine;[4-[3-(3,4-dihydro-2H-1,5-naphthyridin-1-yl)-1-(oxan-2-yl)pyrazolo[3,4-b]pyrazin-6-yl]-1-methylcyclohex-3-en-1-yl]methanamine;[(1S)-4-[7-(3,4-dihydro-2H-1,5-naphthyridin-1-yl)-5H-pyrrolo[3,4-b]pyrazin-3-yl]-1-methylcyclohex-3-en-1-yl]methanamine;[(1R)-4-[7-(3,4-dihydro-2H-1,5-naphthyridin-1-yl)-5H-pyrrolo[3,4-b]pyrazin-3-yl]-1-methylcyclohex-3-en-1-yl]methanamine;[4-[7-(3,4-dihydro-2H-1,5-naphthyridin-1-yl)-5H-pyrrolo[3,4-b]pyrazin-3-yl]-1-methylcyclohex-3-en-1-yl]methanamine;2-(4-isocyanocyclohexen-1-yl)-4,4,5,5-tetramethyl-1,3,2-dioxaborolane;1-[6-(4-isocyano-4-methylcyclohexen-1-yl)-1-(oxan-2-yl)pyrazolo[3,4-b]pyrazin-3-yl]-3,4-dihydro-2H-1,5-naphthyridine;2-(4-isocyano-4-methylcyclohexen-1-yl)-4,4,5,5-tetramethyl-1,3,2-dioxaborolane

6-chloro-3-iodo-1-(oxan-2-yl)pyrazolo[3,4-b]pyrazine;1-[6-chloro-1-(oxan-2-yl)pyrazolo[3,4-b]pyrazin-3-yl]-3,4-dihydro-2H-1,5-naphthyridine;[4-[3-(3,4-dihydro-2H-1,5-naphthyridin-1-yl)-1-(oxan-2-yl)pyrazolo[3,4-b]pyrazin-6-yl]-1-methylcyclohex-3-en-1-yl]methanamine;[(1S)-4-[7-(3,4-dihydro-2H-1,5-naphthyridin-1-yl)-5H-pyrrolo[3,4-b]pyrazin-3-yl]-1-methylcyclohex-3-en-1-yl]methanamine;[(1R)-4-[7-(3,4-dihydro-2H-1,5-naphthyridin-1-yl)-5H-pyrrolo[3,4-b]pyrazin-3-yl]-1-methylcyclohex-3-en-1-yl]methanamine;[4-[7-(3,4-dihydro-2H-1,5-naphthyridin-1-yl)-5H-pyrrolo[3,4-b]pyrazin-3-yl]-1-methylcyclohex-3-en-1-yl]methanamine;2-(4-isocyanocyclohexen-1-yl)-4,4,5,5-tetramethyl-1,3,2-dioxaborolane;1-[6-(4-isocyano-4-methylcyclohexen-1-yl)-1-(oxan-2-yl)pyrazolo[3,4-b]pyrazin-3-yl]-3,4-dihydro-2H-1,5-naphthyridine;2-(4-isocyano-4-methylcyclohexen-1-yl)-4,4,5,5-tetramethyl-1,3,2-dioxaborolane (PubChem CID 159104185) has the molecular formula C173H211B2Cl2IN44O8 and a molecular weight of 3254.32 g/mol. Its IUPAC name is 6-chloro-3-iodo-1-(oxan-2-yl)pyrazolo[3,4-b]pyrazine;1-[6-chloro-1-(oxan-2-yl)pyrazolo[3,4-b]pyrazin-3-yl]-3,4-dihydro-2H-1,5-naphthyridine;[4-[3-(3,4-dihydro-2H-1,5-naphthyridin-1-yl)-1-(oxan-2-yl)pyrazolo[3,4-b]pyrazin-6-yl]-1-methylcyclohex-3-en-1-yl]methanamine;[(1S)-4-[7-(3,4-dihydro-2H-1,5-naphthyridin-1-yl)-5H-pyrrolo[3,4-b]pyrazin-3-yl]-1-methylcyclohex-3-en-1-yl]methanamine;[(1R)-4-[7-(3,4-dihydro-2H-1,5-naphthyridin-1-yl)-5H-pyrrolo[3,4-b]pyrazin-3-yl]-1-methylcyclohex-3-en-1-yl]methanamine;[4-[7-(3,4-dihydro-2H-1,5-naphthyridin-1-yl)-5H-pyrrolo[3,4-b]pyrazin-3-yl]-1-methylcyclohex-3-en-1-yl]methanamine;2-(4-isocyanocyclohexen-1-yl)-4,4,5,5-tetramethyl-1,3,2-dioxaborolane;1-[6-(4-isocyano-4-methylcyclohexen-1-yl)-1-(oxan-2-yl)pyrazolo[3,4-b]pyrazin-3-yl]-3,4-dihydro-2H-1,5-naphthyridine;2-(4-isocyano-4-methylcyclohexen-1-yl)-4,4,5,5-tetramethyl-1,3,2-dioxaborolane.

Molecular Properties

Compound Name6-chloro-3-iodo-1-(oxan-2-yl)pyrazolo[3,4-b]pyrazine;1-[6-chloro-1-(oxan-2-yl)pyrazolo[3,4-b]pyrazin-3-yl]-3,4-dihydro-2H-1,5-naphthyridine;[4-[3-(3,4-dihydro-2H-1,5-naphthyridin-1-yl)-1-(oxan-2-yl)pyrazolo[3,4-b]pyrazin-6-yl]-1-methylcyclohex-3-en-1-yl]methanamine;[(1S)-4-[7-(3,4-dihydro-2H-1,5-naphthyridin-1-yl)-5H-pyrrolo[3,4-b]pyrazin-3-yl]-1-methylcyclohex-3-en-1-yl]methanamine;[(1R)-4-[7-(3,4-dihydro-2H-1,5-naphthyridin-1-yl)-5H-pyrrolo[3,4-b]pyrazin-3-yl]-1-methylcyclohex-3-en-1-yl]methanamine;[4-[7-(3,4-dihydro-2H-1,5-naphthyridin-1-yl)-5H-pyrrolo[3,4-b]pyrazin-3-yl]-1-methylcyclohex-3-en-1-yl]methanamine;2-(4-isocyanocyclohexen-1-yl)-4,4,5,5-tetramethyl-1,3,2-dioxaborolane;1-[6-(4-isocyano-4-methylcyclohexen-1-yl)-1-(oxan-2-yl)pyrazolo[3,4-b]pyrazin-3-yl]-3,4-dihydro-2H-1,5-naphthyridine;2-(4-isocyano-4-methylcyclohexen-1-yl)-4,4,5,5-tetramethyl-1,3,2-dioxaborolane
PubChem CID159104185
Molecular FormulaC173H211B2Cl2IN44O8
Molecular Weight3254.32 g/mol
Exact Mass3251.61
IUPAC Name6-chloro-3-iodo-1-(oxan-2-yl)pyrazolo[3,4-b]pyrazine;1-[6-chloro-1-(oxan-2-yl)pyrazolo[3,4-b]pyrazin-3-yl]-3,4-dihydro-2H-1,5-naphthyridine;[4-[3-(3,4-dihydro-2H-1,5-naphthyridin-1-yl)-1-(oxan-2-yl)pyrazolo[3,4-b]pyrazin-6-yl]-1-methylcyclohex-3-en-1-yl]methanamine;[(1S)-4-[7-(3,4-dihydro-2H-1,5-naphthyridin-1-yl)-5H-pyrrolo[3,4-b]pyrazin-3-yl]-1-methylcyclohex-3-en-1-yl]methanamine;[(1R)-4-[7-(3,4-dihydro-2H-1,5-naphthyridin-1-yl)-5H-pyrrolo[3,4-b]pyrazin-3-yl]-1-methylcyclohex-3-en-1-yl]methanamine;[4-[7-(3,4-dihydro-2H-1,5-naphthyridin-1-yl)-5H-pyrrolo[3,4-b]pyrazin-3-yl]-1-methylcyclohex-3-en-1-yl]methanamine;2-(4-isocyanocyclohexen-1-yl)-4,4,5,5-tetramethyl-1,3,2-dioxaborolane;1-[6-(4-isocyano-4-methylcyclohexen-1-yl)-1-(oxan-2-yl)pyrazolo[3,4-b]pyrazin-3-yl]-3,4-dihydro-2H-1,5-naphthyridine;2-(4-isocyano-4-methylcyclohexen-1-yl)-4,4,5,5-tetramethyl-1,3,2-dioxaborolane
SMILESCC1(CN)CC=C(c2cnc3c(N4CCCc5ncccc54)nn(C4CCCCO4)c3n2)CC1.CC1(CN)CC=C(c2cnc3c(n2)CN=C3N2CCCc3ncccc32)CC1.C[C@@]1(CN)CC=C(c2cnc3c(n2)CN=C3N2CCCc3ncccc32)CC1.C[C@]1(CN)CC=C(c2cnc3c(n2)CN=C3N2CCCc3ncccc32)CC1.Clc1cnc2c(I)nn(C3CCCCO3)c2n1.Clc1cnc2c(N3CCCc4ncccc43)nn(C3CCCCO3)c2n1.[C-]#[N+]C1(C)CC=C(B2OC(C)(C)C(C)(C)O2)CC1.[C-]#[N+]C1(C)CC=C(c2cnc3c(N4CCCc5ncccc54)nn(C4CCCCO4)c3n2)CC1.[C-]#[N+]C1CC=C(B2OC(C)(C)C(C)(C)O2)CC1
InChIInChI=1S/C26H29N7O.C26H33N7O.3C22H26N6.C18H19ClN6O.C14H22BNO2.C13H20BNO2.C10H10ClIN4O/c1-26(27-2)12-10-18(11-13-26)20-17-29-23-24(30-20)33(22-9-3-4-16-34-22)31-25(23)32-15-6-7-19-21(32)8-5-14-28-19;1-26(17-27)11-9-18(10-12-26)20-16-29-23-24(30-20)33(22-8-2-3-15-34-22)31-25(23)32-14-5-6-19-21(32)7-4-13-28-19;3*1-22(14-23)8-6-15(7-9-22)17-12-25-20-18(27-17)13-26-21(20)28-11-3-4-16-19(28)5-2-10-24-16;19-14-11-21-16-17(22-14)25(15-7-1-2-10-26-15)23-18(16)24-9-4-5-12-13(24)6-3-8-20-12;1-12(2)13(3,4)18-15(17-12)11-7-9-14(5,16-6)10-8-11;1-12(2)13(3,4)17-14(16-12)10-6-8-11(15-5)9-7-10;11-6-5-13-8-9(12)15-16(10(8)14-6)7-3-1-2-4-17-7/h5,8,10,14,17,22H,3-4,6-7,9,11-13,15-16H2,1H3;4,7,9,13,16,22H,2-3,5-6,8,10-12,14-15,17,27H2,1H3;3*2,5-6,10,12H,3-4,7-9,11,13-14,23H2,1H3;3,6,8,11,15H,1-2,4-5,7,9-10H2;7H,8-10H2,1-5H3;6,11H,7-9H2,1-4H3;5,7H,1-4H2/t;;2*22-;;;;;/m..10...../s1
InChIKeyKDQZZJQBTCOPMO-ZSAUWMFWSA-N
XLogP32.00
TPSA576.60 Ų
H-Bond Donors4
H-Bond Acceptors49
Rotatable Bonds18
Heavy Atoms230
Complexity

Lipinski Rule of Five

3 violations

RuleValue
MW ≤ 5003254.32
LogP ≤ 532.00
H-Bond Donors ≤ 54
H-Bond Acceptors ≤ 1049

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Carbo_cation/anion', 'substructure': 'N/A'}, {'alert_name': 'heavy_metal', 'substructure': 'N/A'}, {'alert_name': 'iodine', 'substructure': 'N/A'}

Analyze 6-chloro-3-iodo-1-(oxan-2-yl)pyrazolo[3,4-b]pyrazine;1-[6-chloro-1-(oxan-2-yl)pyrazolo[3,4-b]pyrazin-3-yl]-3,4-dihydro-2H-1,5-naphthyridine;[4-[3-(3,4-dihydro-2H-1,5-naphthyridin-1-yl)-1-(oxan-2-yl)pyrazolo[3,4-b]pyrazin-6-yl]-1-methylcyclohex-3-en-1-yl]methanamine;[(1S)-4-[7-(3,4-dihydro-2H-1,5-naphthyridin-1-yl)-5H-pyrrolo[3,4-b]pyrazin-3-yl]-1-methylcyclohex-3-en-1-yl]methanamine;[(1R)-4-[7-(3,4-dihydro-2H-1,5-naphthyridin-1-yl)-5H-pyrrolo[3,4-b]pyrazin-3-yl]-1-methylcyclohex-3-en-1-yl]methanamine;[4-[7-(3,4-dihydro-2H-1,5-naphthyridin-1-yl)-5H-pyrrolo[3,4-b]pyrazin-3-yl]-1-methylcyclohex-3-en-1-yl]methanamine;2-(4-isocyanocyclohexen-1-yl)-4,4,5,5-tetramethyl-1,3,2-dioxaborolane;1-[6-(4-isocyano-4-methylcyclohexen-1-yl)-1-(oxan-2-yl)pyrazolo[3,4-b]pyrazin-3-yl]-3,4-dihydro-2H-1,5-naphthyridine;2-(4-isocyano-4-methylcyclohexen-1-yl)-4,4,5,5-tetramethyl-1,3,2-dioxaborolane with MolForge

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Frequently Asked Questions

What is the IUPAC name of 6-chloro-3-iodo-1-(oxan-2-yl)pyrazolo[3,4-b]pyrazine;1-[6-chloro-1-(oxan-2-yl)pyrazolo[3,4-b]pyrazin-3-yl]-3,4-dihydro-2H-1,5-naphthyridine;[4-[3-(3,4-dihydro-2H-1,5-naphthyridin-1-yl)-1-(oxan-2-yl)pyrazolo[3,4-b]pyrazin-6-yl]-1-methylcyclohex-3-en-1-yl]methanamine;[(1S)-4-[7-(3,4-dihydro-2H-1,5-naphthyridin-1-yl)-5H-pyrrolo[3,4-b]pyrazin-3-yl]-1-methylcyclohex-3-en-1-yl]methanamine;[(1R)-4-[7-(3,4-dihydro-2H-1,5-naphthyridin-1-yl)-5H-pyrrolo[3,4-b]pyrazin-3-yl]-1-methylcyclohex-3-en-1-yl]methanamine;[4-[7-(3,4-dihydro-2H-1,5-naphthyridin-1-yl)-5H-pyrrolo[3,4-b]pyrazin-3-yl]-1-methylcyclohex-3-en-1-yl]methanamine;2-(4-isocyanocyclohexen-1-yl)-4,4,5,5-tetramethyl-1,3,2-dioxaborolane;1-[6-(4-isocyano-4-methylcyclohexen-1-yl)-1-(oxan-2-yl)pyrazolo[3,4-b]pyrazin-3-yl]-3,4-dihydro-2H-1,5-naphthyridine;2-(4-isocyano-4-methylcyclohexen-1-yl)-4,4,5,5-tetramethyl-1,3,2-dioxaborolane?
The IUPAC name of 6-chloro-3-iodo-1-(oxan-2-yl)pyrazolo[3,4-b]pyrazine;1-[6-chloro-1-(oxan-2-yl)pyrazolo[3,4-b]pyrazin-3-yl]-3,4-dihydro-2H-1,5-naphthyridine;[4-[3-(3,4-dihydro-2H-1,5-naphthyridin-1-yl)-1-(oxan-2-yl)pyrazolo[3,4-b]pyrazin-6-yl]-1-methylcyclohex-3-en-1-yl]methanamine;[(1S)-4-[7-(3,4-dihydro-2H-1,5-naphthyridin-1-yl)-5H-pyrrolo[3,4-b]pyrazin-3-yl]-1-methylcyclohex-3-en-1-yl]methanamine;[(1R)-4-[7-(3,4-dihydro-2H-1,5-naphthyridin-1-yl)-5H-pyrrolo[3,4-b]pyrazin-3-yl]-1-methylcyclohex-3-en-1-yl]methanamine;[4-[7-(3,4-dihydro-2H-1,5-naphthyridin-1-yl)-5H-pyrrolo[3,4-b]pyrazin-3-yl]-1-methylcyclohex-3-en-1-yl]methanamine;2-(4-isocyanocyclohexen-1-yl)-4,4,5,5-tetramethyl-1,3,2-dioxaborolane;1-[6-(4-isocyano-4-methylcyclohexen-1-yl)-1-(oxan-2-yl)pyrazolo[3,4-b]pyrazin-3-yl]-3,4-dihydro-2H-1,5-naphthyridine;2-(4-isocyano-4-methylcyclohexen-1-yl)-4,4,5,5-tetramethyl-1,3,2-dioxaborolane (CID 159104185) is 6-chloro-3-iodo-1-(oxan-2-yl)pyrazolo[3,4-b]pyrazine;1-[6-chloro-1-(oxan-2-yl)pyrazolo[3,4-b]pyrazin-3-yl]-3,4-dihydro-2H-1,5-naphthyridine;[4-[3-(3,4-dihydro-2H-1,5-naphthyridin-1-yl)-1-(oxan-2-yl)pyrazolo[3,4-b]pyrazin-6-yl]-1-methylcyclohex-3-en-1-yl]methanamine;[(1S)-4-[7-(3,4-dihydro-2H-1,5-naphthyridin-1-yl)-5H-pyrrolo[3,4-b]pyrazin-3-yl]-1-methylcyclohex-3-en-1-yl]methanamine;[(1R)-4-[7-(3,4-dihydro-2H-1,5-naphthyridin-1-yl)-5H-pyrrolo[3,4-b]pyrazin-3-yl]-1-methylcyclohex-3-en-1-yl]methanamine;[4-[7-(3,4-dihydro-2H-1,5-naphthyridin-1-yl)-5H-pyrrolo[3,4-b]pyrazin-3-yl]-1-methylcyclohex-3-en-1-yl]methanamine;2-(4-isocyanocyclohexen-1-yl)-4,4,5,5-tetramethyl-1,3,2-dioxaborolane;1-[6-(4-isocyano-4-methylcyclohexen-1-yl)-1-(oxan-2-yl)pyrazolo[3,4-b]pyrazin-3-yl]-3,4-dihydro-2H-1,5-naphthyridine;2-(4-isocyano-4-methylcyclohexen-1-yl)-4,4,5,5-tetramethyl-1,3,2-dioxaborolane.
What is the SMILES notation for 6-chloro-3-iodo-1-(oxan-2-yl)pyrazolo[3,4-b]pyrazine;1-[6-chloro-1-(oxan-2-yl)pyrazolo[3,4-b]pyrazin-3-yl]-3,4-dihydro-2H-1,5-naphthyridine;[4-[3-(3,4-dihydro-2H-1,5-naphthyridin-1-yl)-1-(oxan-2-yl)pyrazolo[3,4-b]pyrazin-6-yl]-1-methylcyclohex-3-en-1-yl]methanamine;[(1S)-4-[7-(3,4-dihydro-2H-1,5-naphthyridin-1-yl)-5H-pyrrolo[3,4-b]pyrazin-3-yl]-1-methylcyclohex-3-en-1-yl]methanamine;[(1R)-4-[7-(3,4-dihydro-2H-1,5-naphthyridin-1-yl)-5H-pyrrolo[3,4-b]pyrazin-3-yl]-1-methylcyclohex-3-en-1-yl]methanamine;[4-[7-(3,4-dihydro-2H-1,5-naphthyridin-1-yl)-5H-pyrrolo[3,4-b]pyrazin-3-yl]-1-methylcyclohex-3-en-1-yl]methanamine;2-(4-isocyanocyclohexen-1-yl)-4,4,5,5-tetramethyl-1,3,2-dioxaborolane;1-[6-(4-isocyano-4-methylcyclohexen-1-yl)-1-(oxan-2-yl)pyrazolo[3,4-b]pyrazin-3-yl]-3,4-dihydro-2H-1,5-naphthyridine;2-(4-isocyano-4-methylcyclohexen-1-yl)-4,4,5,5-tetramethyl-1,3,2-dioxaborolane?
The canonical SMILES for 6-chloro-3-iodo-1-(oxan-2-yl)pyrazolo[3,4-b]pyrazine;1-[6-chloro-1-(oxan-2-yl)pyrazolo[3,4-b]pyrazin-3-yl]-3,4-dihydro-2H-1,5-naphthyridine;[4-[3-(3,4-dihydro-2H-1,5-naphthyridin-1-yl)-1-(oxan-2-yl)pyrazolo[3,4-b]pyrazin-6-yl]-1-methylcyclohex-3-en-1-yl]methanamine;[(1S)-4-[7-(3,4-dihydro-2H-1,5-naphthyridin-1-yl)-5H-pyrrolo[3,4-b]pyrazin-3-yl]-1-methylcyclohex-3-en-1-yl]methanamine;[(1R)-4-[7-(3,4-dihydro-2H-1,5-naphthyridin-1-yl)-5H-pyrrolo[3,4-b]pyrazin-3-yl]-1-methylcyclohex-3-en-1-yl]methanamine;[4-[7-(3,4-dihydro-2H-1,5-naphthyridin-1-yl)-5H-pyrrolo[3,4-b]pyrazin-3-yl]-1-methylcyclohex-3-en-1-yl]methanamine;2-(4-isocyanocyclohexen-1-yl)-4,4,5,5-tetramethyl-1,3,2-dioxaborolane;1-[6-(4-isocyano-4-methylcyclohexen-1-yl)-1-(oxan-2-yl)pyrazolo[3,4-b]pyrazin-3-yl]-3,4-dihydro-2H-1,5-naphthyridine;2-(4-isocyano-4-methylcyclohexen-1-yl)-4,4,5,5-tetramethyl-1,3,2-dioxaborolane is CC1(CN)CC=C(c2cnc3c(N4CCCc5ncccc54)nn(C4CCCCO4)c3n2)CC1.CC1(CN)CC=C(c2cnc3c(n2)CN=C3N2CCCc3ncccc32)CC1.C[C@@]1(CN)CC=C(c2cnc3c(n2)CN=C3N2CCCc3ncccc32)CC1.C[C@]1(CN)CC=C(c2cnc3c(n2)CN=C3N2CCCc3ncccc32)CC1.Clc1cnc2c(I)nn(C3CCCCO3)c2n1.Clc1cnc2c(N3CCCc4ncccc43)nn(C3CCCCO3)c2n1.[C-]#[N+]C1(C)CC=C(B2OC(C)(C)C(C)(C)O2)CC1.[C-]#[N+]C1(C)CC=C(c2cnc3c(N4CCCc5ncccc54)nn(C4CCCCO4)c3n2)CC1.[C-]#[N+]C1CC=C(B2OC(C)(C)C(C)(C)O2)CC1.
What is the InChIKey of 6-chloro-3-iodo-1-(oxan-2-yl)pyrazolo[3,4-b]pyrazine;1-[6-chloro-1-(oxan-2-yl)pyrazolo[3,4-b]pyrazin-3-yl]-3,4-dihydro-2H-1,5-naphthyridine;[4-[3-(3,4-dihydro-2H-1,5-naphthyridin-1-yl)-1-(oxan-2-yl)pyrazolo[3,4-b]pyrazin-6-yl]-1-methylcyclohex-3-en-1-yl]methanamine;[(1S)-4-[7-(3,4-dihydro-2H-1,5-naphthyridin-1-yl)-5H-pyrrolo[3,4-b]pyrazin-3-yl]-1-methylcyclohex-3-en-1-yl]methanamine;[(1R)-4-[7-(3,4-dihydro-2H-1,5-naphthyridin-1-yl)-5H-pyrrolo[3,4-b]pyrazin-3-yl]-1-methylcyclohex-3-en-1-yl]methanamine;[4-[7-(3,4-dihydro-2H-1,5-naphthyridin-1-yl)-5H-pyrrolo[3,4-b]pyrazin-3-yl]-1-methylcyclohex-3-en-1-yl]methanamine;2-(4-isocyanocyclohexen-1-yl)-4,4,5,5-tetramethyl-1,3,2-dioxaborolane;1-[6-(4-isocyano-4-methylcyclohexen-1-yl)-1-(oxan-2-yl)pyrazolo[3,4-b]pyrazin-3-yl]-3,4-dihydro-2H-1,5-naphthyridine;2-(4-isocyano-4-methylcyclohexen-1-yl)-4,4,5,5-tetramethyl-1,3,2-dioxaborolane?
The InChIKey is KDQZZJQBTCOPMO-ZSAUWMFWSA-N. The full InChI is InChI=1S/C26H29N7O.C26H33N7O.3C22H26N6.C18H19ClN6O.C14H22BNO2.C13H20BNO2.C10H10ClIN4O/c1-26(27-2)12-10-18(11-13-26)20-17-29-23-24(30-20)33(22-9-3-4-16-34-22)31-25(23)32-15-6-7-19-21(32)8-5-14-28-19;1-26(17-27)11-9-18(10-12-26)20-16-29-23-24(30-20)33(22-8-2-3-15-34-22)31-25(23)32-14-5-6-19-21(32)7-4-13-28-19;3*1-22(14-23)8-6-15(7-9-22)17-12-25-20-18(27-17)13-26-21(20)28-11-3-4-16-19(28)5-2-10-24-16;19-14-11-21-16-17(22-14)25(15-7-1-2-10-26-15)23-18(16)24-9-4-5-12-13(24)6-3-8-20-12;1-12(2)13(3,4)18-15(17-12)11-7-9-14(5,16-6)10-8-11;1-12(2)13(3,4)17-14(16-12)10-6-8-11(15-5)9-7-10;11-6-5-13-8-9(12)15-16(10(8)14-6)7-3-1-2-4-17-7/h5,8,10,14,17,22H,3-4,6-7,9,11-13,15-16H2,1H3;4,7,9,13,16,22H,2-3,5-6,8,10-12,14-15,17,27H2,1H3;3*2,5-6,10,12H,3-4,7-9,11,13-14,23H2,1H3;3,6,8,11,15H,1-2,4-5,7,9-10H2;7H,8-10H2,1-5H3;6,11H,7-9H2,1-4H3;5,7H,1-4H2/t;;2*22-;;;;;/m..10...../s1.
What are the key properties of 6-chloro-3-iodo-1-(oxan-2-yl)pyrazolo[3,4-b]pyrazine;1-[6-chloro-1-(oxan-2-yl)pyrazolo[3,4-b]pyrazin-3-yl]-3,4-dihydro-2H-1,5-naphthyridine;[4-[3-(3,4-dihydro-2H-1,5-naphthyridin-1-yl)-1-(oxan-2-yl)pyrazolo[3,4-b]pyrazin-6-yl]-1-methylcyclohex-3-en-1-yl]methanamine;[(1S)-4-[7-(3,4-dihydro-2H-1,5-naphthyridin-1-yl)-5H-pyrrolo[3,4-b]pyrazin-3-yl]-1-methylcyclohex-3-en-1-yl]methanamine;[(1R)-4-[7-(3,4-dihydro-2H-1,5-naphthyridin-1-yl)-5H-pyrrolo[3,4-b]pyrazin-3-yl]-1-methylcyclohex-3-en-1-yl]methanamine;[4-[7-(3,4-dihydro-2H-1,5-naphthyridin-1-yl)-5H-pyrrolo[3,4-b]pyrazin-3-yl]-1-methylcyclohex-3-en-1-yl]methanamine;2-(4-isocyanocyclohexen-1-yl)-4,4,5,5-tetramethyl-1,3,2-dioxaborolane;1-[6-(4-isocyano-4-methylcyclohexen-1-yl)-1-(oxan-2-yl)pyrazolo[3,4-b]pyrazin-3-yl]-3,4-dihydro-2H-1,5-naphthyridine;2-(4-isocyano-4-methylcyclohexen-1-yl)-4,4,5,5-tetramethyl-1,3,2-dioxaborolane?
6-chloro-3-iodo-1-(oxan-2-yl)pyrazolo[3,4-b]pyrazine;1-[6-chloro-1-(oxan-2-yl)pyrazolo[3,4-b]pyrazin-3-yl]-3,4-dihydro-2H-1,5-naphthyridine;[4-[3-(3,4-dihydro-2H-1,5-naphthyridin-1-yl)-1-(oxan-2-yl)pyrazolo[3,4-b]pyrazin-6-yl]-1-methylcyclohex-3-en-1-yl]methanamine;[(1S)-4-[7-(3,4-dihydro-2H-1,5-naphthyridin-1-yl)-5H-pyrrolo[3,4-b]pyrazin-3-yl]-1-methylcyclohex-3-en-1-yl]methanamine;[(1R)-4-[7-(3,4-dihydro-2H-1,5-naphthyridin-1-yl)-5H-pyrrolo[3,4-b]pyrazin-3-yl]-1-methylcyclohex-3-en-1-yl]methanamine;[4-[7-(3,4-dihydro-2H-1,5-naphthyridin-1-yl)-5H-pyrrolo[3,4-b]pyrazin-3-yl]-1-methylcyclohex-3-en-1-yl]methanamine;2-(4-isocyanocyclohexen-1-yl)-4,4,5,5-tetramethyl-1,3,2-dioxaborolane;1-[6-(4-isocyano-4-methylcyclohexen-1-yl)-1-(oxan-2-yl)pyrazolo[3,4-b]pyrazin-3-yl]-3,4-dihydro-2H-1,5-naphthyridine;2-(4-isocyano-4-methylcyclohexen-1-yl)-4,4,5,5-tetramethyl-1,3,2-dioxaborolane has a molecular weight of 3254.32 g/mol, XLogP of 32.00, 18 rotatable bonds, 4 hydrogen bond donors, and 49 hydrogen bond acceptors.
Where does this data come from?
All data for 6-chloro-3-iodo-1-(oxan-2-yl)pyrazolo[3,4-b]pyrazine;1-[6-chloro-1-(oxan-2-yl)pyrazolo[3,4-b]pyrazin-3-yl]-3,4-dihydro-2H-1,5-naphthyridine;[4-[3-(3,4-dihydro-2H-1,5-naphthyridin-1-yl)-1-(oxan-2-yl)pyrazolo[3,4-b]pyrazin-6-yl]-1-methylcyclohex-3-en-1-yl]methanamine;[(1S)-4-[7-(3,4-dihydro-2H-1,5-naphthyridin-1-yl)-5H-pyrrolo[3,4-b]pyrazin-3-yl]-1-methylcyclohex-3-en-1-yl]methanamine;[(1R)-4-[7-(3,4-dihydro-2H-1,5-naphthyridin-1-yl)-5H-pyrrolo[3,4-b]pyrazin-3-yl]-1-methylcyclohex-3-en-1-yl]methanamine;[4-[7-(3,4-dihydro-2H-1,5-naphthyridin-1-yl)-5H-pyrrolo[3,4-b]pyrazin-3-yl]-1-methylcyclohex-3-en-1-yl]methanamine;2-(4-isocyanocyclohexen-1-yl)-4,4,5,5-tetramethyl-1,3,2-dioxaborolane;1-[6-(4-isocyano-4-methylcyclohexen-1-yl)-1-(oxan-2-yl)pyrazolo[3,4-b]pyrazin-3-yl]-3,4-dihydro-2H-1,5-naphthyridine;2-(4-isocyano-4-methylcyclohexen-1-yl)-4,4,5,5-tetramethyl-1,3,2-dioxaborolane is sourced from PubChem (CID 159104185), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).