1-[2-[3-(6,8-dihydro-5H-imidazo[2,1-c][1,4]oxazin-2-yl)-2-fluorophenyl]-7-[(1-methylpyrazol-3-yl)methyl]-1H-pyrrolo[2,3-c]pyridin-4-yl]propan-1-one;methyl 7-amino-2-[3-(6,8-dihydro-5H-imidazo[2,1-c][1,4]oxazin-2-yl)-2-fluorophenyl]-1H-pyrrolo[2,3-c]pyridine-4-carboxylate;methyl 7-bromo-2-[3-(6,8-dihydro-5H-imidazo[2,1-c][1,4]oxazin-2-yl)-2-fluorophenyl]-1H-pyrrolo[2,3-c]pyridine-4-carboxylate;methyl 7-(dibenzylamino)-2-[3-(6,8-dihydro-5H-imidazo[2,1-c][1,4]oxazin-2-yl)-2-fluorophenyl]-1H-pyrrolo[2,3-c]pyridine-4-carboxylate;methyl 2-[3-(6,8-dihydro-5H-imidazo[2,1-c][1,4]oxazin-2-yl)-2-fluorophenyl]-7-[(1-methylpyrazol-3-yl)methyl]-1H-pyrrolo[2,3-c]pyridine-4-carboxylate;1-methylpyrazol-3-amine

C134H119BrF5N29O14 — CID 159184913

IUPAC1-[2-[3-(6,8-dihydro-5H-imidazo[2,1-c][1,4]oxazin-2-yl)-2-fluorophenyl]-7-[(1-methylpyrazol-3-yl)methyl]-1H-pyrrolo[2,3-c]pyridin-4-yl]propan-1-one;methyl 7-amino-2-[3-(6,8-dihydro-5H-imidazo[2,1-c][1,4]oxazin-2-yl)-2-fluorophenyl]-1H-pyrrolo[2,3-c]pyridine-4-carboxylate;methyl 7-bromo-2-[3-(6,8-dihydro-5H-imidazo[2,1-c][1,4]oxazin-2-yl)-2-fluorophenyl]-1H-pyrrolo[2,3-c]pyridine-4-carboxylate;methyl 7-(dibenzylamino)-2-[3-(6,8-dihydro-5H-imidazo[2,1-c][1,4]oxazin-2-yl)-2-fluorophenyl]-1H-pyrrolo[2,3-c]pyridine-4-carboxylate;methyl 2-[3-(6,8-dihydro-5H-imidazo[2,1-c][1,4]oxazin-2-yl)-2-fluorophenyl]-7-[(1-methylpyrazol-3-yl)methyl]-1H-pyrrolo[2,3-c]pyridine-4-carboxylate;1-methylpyrazol-3-amine
SMILESCCC(=O)c1cnc(Cc2ccn(C)n2)c2[nH]c(-c3cccc(-c4cn5c(n4)COCC5)c3F)cc12.COC(=O)c1cnc(Br)c2[nH]c(-c3cccc(-c4cn5c(n4)COCC5)c3F)cc12.COC(=O)c1cnc(Cc2ccn(C)n2)c2[nH]c(-c3cccc(-c4cn5c(n4)COCC5)c3F)cc12.COC(=O)c1cnc(N(Cc2ccccc2)Cc2ccccc2)c2[nH]c(-c3cccc(-c4cn5c(n4)COCC5)c3F)cc12.COC(=O)c1cnc(N)c2[nH]c(-c3cccc(-c4cn5c(n4)COCC5)c3F)cc12.Cn1ccc(N)n1
InChIInChI=1S/C35H30FN5O3.C27H25FN6O2.C26H23FN6O3.C21H16BrFN4O3.C21H18FN5O3.C4H7N3/c1-43-35(42)28-18-37-34(41(19-23-9-4-2-5-10-23)20-24-11-6-3-7-12-24)33-27(28)17-29(39-33)25-13-8-14-26(32(25)36)30-21-40-15-16-44-22-31(40)38-30;1-3-24(35)20-13-29-22(11-16-7-8-33(2)32-16)27-19(20)12-21(31-27)17-5-4-6-18(26(17)28)23-14-34-9-10-36-15-25(34)30-23;1-32-7-6-15(31-32)10-21-25-18(19(12-28-21)26(34)35-2)11-20(30-25)16-4-3-5-17(24(16)27)22-13-33-8-9-36-14-23(33)29-22;1-29-21(28)14-8-24-20(22)19-13(14)7-15(26-19)11-3-2-4-12(18(11)23)16-9-27-5-6-30-10-17(27)25-16;1-29-21(28)14-8-24-20(23)19-13(14)7-15(26-19)11-3-2-4-12(18(11)22)16-9-27-5-6-30-10-17(27)25-16;1-7-3-2-4(5)6-7/h2-14,17-18,21,39H,15-16,19-20,22H2,1H3;4-8,12-14,31H,3,9-11,15H2,1-2H3;3-7,11-13,30H,8-10,14H2,1-2H3;2-4,7-9,26H,5-6,10H2,1H3;2-4,7-9,26H,5-6,10H2,1H3,(H2,23,24);2-3H,1H3,(H2,5,6)
InChIKeyKNJCDEVWENAFSS-UHFFFAOYSA-N
MW2534.51 g/mol
LogP22.75
Rot. Bonds25

About 1-[2-[3-(6,8-dihydro-5H-imidazo[2,1-c][1,4]oxazin-2-yl)-2-fluorophenyl]-7-[(1-methylpyrazol-3-yl)methyl]-1H-pyrrolo[2,3-c]pyridin-4-yl]propan-1-one;methyl 7-amino-2-[3-(6,8-dihydro-5H-imidazo[2,1-c][1,4]oxazin-2-yl)-2-fluorophenyl]-1H-pyrrolo[2,3-c]pyridine-4-carboxylate;methyl 7-bromo-2-[3-(6,8-dihydro-5H-imidazo[2,1-c][1,4]oxazin-2-yl)-2-fluorophenyl]-1H-pyrrolo[2,3-c]pyridine-4-carboxylate;methyl 7-(dibenzylamino)-2-[3-(6,8-dihydro-5H-imidazo[2,1-c][1,4]oxazin-2-yl)-2-fluorophenyl]-1H-pyrrolo[2,3-c]pyridine-4-carboxylate;methyl 2-[3-(6,8-dihydro-5H-imidazo[2,1-c][1,4]oxazin-2-yl)-2-fluorophenyl]-7-[(1-methylpyrazol-3-yl)methyl]-1H-pyrrolo[2,3-c]pyridine-4-carboxylate;1-methylpyrazol-3-amine

1-[2-[3-(6,8-dihydro-5H-imidazo[2,1-c][1,4]oxazin-2-yl)-2-fluorophenyl]-7-[(1-methylpyrazol-3-yl)methyl]-1H-pyrrolo[2,3-c]pyridin-4-yl]propan-1-one;methyl 7-amino-2-[3-(6,8-dihydro-5H-imidazo[2,1-c][1,4]oxazin-2-yl)-2-fluorophenyl]-1H-pyrrolo[2,3-c]pyridine-4-carboxylate;methyl 7-bromo-2-[3-(6,8-dihydro-5H-imidazo[2,1-c][1,4]oxazin-2-yl)-2-fluorophenyl]-1H-pyrrolo[2,3-c]pyridine-4-carboxylate;methyl 7-(dibenzylamino)-2-[3-(6,8-dihydro-5H-imidazo[2,1-c][1,4]oxazin-2-yl)-2-fluorophenyl]-1H-pyrrolo[2,3-c]pyridine-4-carboxylate;methyl 2-[3-(6,8-dihydro-5H-imidazo[2,1-c][1,4]oxazin-2-yl)-2-fluorophenyl]-7-[(1-methylpyrazol-3-yl)methyl]-1H-pyrrolo[2,3-c]pyridine-4-carboxylate;1-methylpyrazol-3-amine (PubChem CID 159184913) has the molecular formula C134H119BrF5N29O14 and a molecular weight of 2534.51 g/mol. Its IUPAC name is 1-[2-[3-(6,8-dihydro-5H-imidazo[2,1-c][1,4]oxazin-2-yl)-2-fluorophenyl]-7-[(1-methylpyrazol-3-yl)methyl]-1H-pyrrolo[2,3-c]pyridin-4-yl]propan-1-one;methyl 7-amino-2-[3-(6,8-dihydro-5H-imidazo[2,1-c][1,4]oxazin-2-yl)-2-fluorophenyl]-1H-pyrrolo[2,3-c]pyridine-4-carboxylate;methyl 7-bromo-2-[3-(6,8-dihydro-5H-imidazo[2,1-c][1,4]oxazin-2-yl)-2-fluorophenyl]-1H-pyrrolo[2,3-c]pyridine-4-carboxylate;methyl 7-(dibenzylamino)-2-[3-(6,8-dihydro-5H-imidazo[2,1-c][1,4]oxazin-2-yl)-2-fluorophenyl]-1H-pyrrolo[2,3-c]pyridine-4-carboxylate;methyl 2-[3-(6,8-dihydro-5H-imidazo[2,1-c][1,4]oxazin-2-yl)-2-fluorophenyl]-7-[(1-methylpyrazol-3-yl)methyl]-1H-pyrrolo[2,3-c]pyridine-4-carboxylate;1-methylpyrazol-3-amine.

Molecular Properties

Compound Name1-[2-[3-(6,8-dihydro-5H-imidazo[2,1-c][1,4]oxazin-2-yl)-2-fluorophenyl]-7-[(1-methylpyrazol-3-yl)methyl]-1H-pyrrolo[2,3-c]pyridin-4-yl]propan-1-one;methyl 7-amino-2-[3-(6,8-dihydro-5H-imidazo[2,1-c][1,4]oxazin-2-yl)-2-fluorophenyl]-1H-pyrrolo[2,3-c]pyridine-4-carboxylate;methyl 7-bromo-2-[3-(6,8-dihydro-5H-imidazo[2,1-c][1,4]oxazin-2-yl)-2-fluorophenyl]-1H-pyrrolo[2,3-c]pyridine-4-carboxylate;methyl 7-(dibenzylamino)-2-[3-(6,8-dihydro-5H-imidazo[2,1-c][1,4]oxazin-2-yl)-2-fluorophenyl]-1H-pyrrolo[2,3-c]pyridine-4-carboxylate;methyl 2-[3-(6,8-dihydro-5H-imidazo[2,1-c][1,4]oxazin-2-yl)-2-fluorophenyl]-7-[(1-methylpyrazol-3-yl)methyl]-1H-pyrrolo[2,3-c]pyridine-4-carboxylate;1-methylpyrazol-3-amine
PubChem CID159184913
Molecular FormulaC134H119BrF5N29O14
Molecular Weight2534.51 g/mol
Exact Mass2531.86
IUPAC Name1-[2-[3-(6,8-dihydro-5H-imidazo[2,1-c][1,4]oxazin-2-yl)-2-fluorophenyl]-7-[(1-methylpyrazol-3-yl)methyl]-1H-pyrrolo[2,3-c]pyridin-4-yl]propan-1-one;methyl 7-amino-2-[3-(6,8-dihydro-5H-imidazo[2,1-c][1,4]oxazin-2-yl)-2-fluorophenyl]-1H-pyrrolo[2,3-c]pyridine-4-carboxylate;methyl 7-bromo-2-[3-(6,8-dihydro-5H-imidazo[2,1-c][1,4]oxazin-2-yl)-2-fluorophenyl]-1H-pyrrolo[2,3-c]pyridine-4-carboxylate;methyl 7-(dibenzylamino)-2-[3-(6,8-dihydro-5H-imidazo[2,1-c][1,4]oxazin-2-yl)-2-fluorophenyl]-1H-pyrrolo[2,3-c]pyridine-4-carboxylate;methyl 2-[3-(6,8-dihydro-5H-imidazo[2,1-c][1,4]oxazin-2-yl)-2-fluorophenyl]-7-[(1-methylpyrazol-3-yl)methyl]-1H-pyrrolo[2,3-c]pyridine-4-carboxylate;1-methylpyrazol-3-amine
SMILESCCC(=O)c1cnc(Cc2ccn(C)n2)c2[nH]c(-c3cccc(-c4cn5c(n4)COCC5)c3F)cc12.COC(=O)c1cnc(Br)c2[nH]c(-c3cccc(-c4cn5c(n4)COCC5)c3F)cc12.COC(=O)c1cnc(Cc2ccn(C)n2)c2[nH]c(-c3cccc(-c4cn5c(n4)COCC5)c3F)cc12.COC(=O)c1cnc(N(Cc2ccccc2)Cc2ccccc2)c2[nH]c(-c3cccc(-c4cn5c(n4)COCC5)c3F)cc12.COC(=O)c1cnc(N)c2[nH]c(-c3cccc(-c4cn5c(n4)COCC5)c3F)cc12.Cn1ccc(N)n1
InChIInChI=1S/C35H30FN5O3.C27H25FN6O2.C26H23FN6O3.C21H16BrFN4O3.C21H18FN5O3.C4H7N3/c1-43-35(42)28-18-37-34(41(19-23-9-4-2-5-10-23)20-24-11-6-3-7-12-24)33-27(28)17-29(39-33)25-13-8-14-26(32(25)36)30-21-40-15-16-44-22-31(40)38-30;1-3-24(35)20-13-29-22(11-16-7-8-33(2)32-16)27-19(20)12-21(31-27)17-5-4-6-18(26(17)28)23-14-34-9-10-36-15-25(34)30-23;1-32-7-6-15(31-32)10-21-25-18(19(12-28-21)26(34)35-2)11-20(30-25)16-4-3-5-17(24(16)27)22-13-33-8-9-36-14-23(33)29-22;1-29-21(28)14-8-24-20(22)19-13(14)7-15(26-19)11-3-2-4-12(18(11)23)16-9-27-5-6-30-10-17(27)25-16;1-29-21(28)14-8-24-20(23)19-13(14)7-15(26-19)11-3-2-4-12(18(11)22)16-9-27-5-6-30-10-17(27)25-16;1-7-3-2-4(5)6-7/h2-14,17-18,21,39H,15-16,19-20,22H2,1H3;4-8,12-14,31H,3,9-11,15H2,1-2H3;3-7,11-13,30H,8-10,14H2,1-2H3;2-4,7-9,26H,5-6,10H2,1H3;2-4,7-9,26H,5-6,10H2,1H3,(H2,23,24);2-3H,1H3,(H2,5,6)
InChIKeyKNJCDEVWENAFSS-UHFFFAOYSA-N
XLogP22.75
TPSA509.66 Ų
H-Bond Donors7
H-Bond Acceptors38
Rotatable Bonds25
Heavy Atoms183
Complexity

Lipinski Rule of Five

4 violations

RuleValue
MW ≤ 5002534.51
LogP ≤ 522.75
H-Bond Donors ≤ 57
H-Bond Acceptors ≤ 1038

Computed Properties (RDKit)

Structural Alerts{'alert_name': '>_2_ester_groups', 'substructure': 'N/A'}, {'alert_name': '2-halo_pyridine', 'substructure': 'N/A'}

Analyze 1-[2-[3-(6,8-dihydro-5H-imidazo[2,1-c][1,4]oxazin-2-yl)-2-fluorophenyl]-7-[(1-methylpyrazol-3-yl)methyl]-1H-pyrrolo[2,3-c]pyridin-4-yl]propan-1-one;methyl 7-amino-2-[3-(6,8-dihydro-5H-imidazo[2,1-c][1,4]oxazin-2-yl)-2-fluorophenyl]-1H-pyrrolo[2,3-c]pyridine-4-carboxylate;methyl 7-bromo-2-[3-(6,8-dihydro-5H-imidazo[2,1-c][1,4]oxazin-2-yl)-2-fluorophenyl]-1H-pyrrolo[2,3-c]pyridine-4-carboxylate;methyl 7-(dibenzylamino)-2-[3-(6,8-dihydro-5H-imidazo[2,1-c][1,4]oxazin-2-yl)-2-fluorophenyl]-1H-pyrrolo[2,3-c]pyridine-4-carboxylate;methyl 2-[3-(6,8-dihydro-5H-imidazo[2,1-c][1,4]oxazin-2-yl)-2-fluorophenyl]-7-[(1-methylpyrazol-3-yl)methyl]-1H-pyrrolo[2,3-c]pyridine-4-carboxylate;1-methylpyrazol-3-amine with MolForge

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Frequently Asked Questions

What is the IUPAC name of 1-[2-[3-(6,8-dihydro-5H-imidazo[2,1-c][1,4]oxazin-2-yl)-2-fluorophenyl]-7-[(1-methylpyrazol-3-yl)methyl]-1H-pyrrolo[2,3-c]pyridin-4-yl]propan-1-one;methyl 7-amino-2-[3-(6,8-dihydro-5H-imidazo[2,1-c][1,4]oxazin-2-yl)-2-fluorophenyl]-1H-pyrrolo[2,3-c]pyridine-4-carboxylate;methyl 7-bromo-2-[3-(6,8-dihydro-5H-imidazo[2,1-c][1,4]oxazin-2-yl)-2-fluorophenyl]-1H-pyrrolo[2,3-c]pyridine-4-carboxylate;methyl 7-(dibenzylamino)-2-[3-(6,8-dihydro-5H-imidazo[2,1-c][1,4]oxazin-2-yl)-2-fluorophenyl]-1H-pyrrolo[2,3-c]pyridine-4-carboxylate;methyl 2-[3-(6,8-dihydro-5H-imidazo[2,1-c][1,4]oxazin-2-yl)-2-fluorophenyl]-7-[(1-methylpyrazol-3-yl)methyl]-1H-pyrrolo[2,3-c]pyridine-4-carboxylate;1-methylpyrazol-3-amine?
The IUPAC name of 1-[2-[3-(6,8-dihydro-5H-imidazo[2,1-c][1,4]oxazin-2-yl)-2-fluorophenyl]-7-[(1-methylpyrazol-3-yl)methyl]-1H-pyrrolo[2,3-c]pyridin-4-yl]propan-1-one;methyl 7-amino-2-[3-(6,8-dihydro-5H-imidazo[2,1-c][1,4]oxazin-2-yl)-2-fluorophenyl]-1H-pyrrolo[2,3-c]pyridine-4-carboxylate;methyl 7-bromo-2-[3-(6,8-dihydro-5H-imidazo[2,1-c][1,4]oxazin-2-yl)-2-fluorophenyl]-1H-pyrrolo[2,3-c]pyridine-4-carboxylate;methyl 7-(dibenzylamino)-2-[3-(6,8-dihydro-5H-imidazo[2,1-c][1,4]oxazin-2-yl)-2-fluorophenyl]-1H-pyrrolo[2,3-c]pyridine-4-carboxylate;methyl 2-[3-(6,8-dihydro-5H-imidazo[2,1-c][1,4]oxazin-2-yl)-2-fluorophenyl]-7-[(1-methylpyrazol-3-yl)methyl]-1H-pyrrolo[2,3-c]pyridine-4-carboxylate;1-methylpyrazol-3-amine (CID 159184913) is 1-[2-[3-(6,8-dihydro-5H-imidazo[2,1-c][1,4]oxazin-2-yl)-2-fluorophenyl]-7-[(1-methylpyrazol-3-yl)methyl]-1H-pyrrolo[2,3-c]pyridin-4-yl]propan-1-one;methyl 7-amino-2-[3-(6,8-dihydro-5H-imidazo[2,1-c][1,4]oxazin-2-yl)-2-fluorophenyl]-1H-pyrrolo[2,3-c]pyridine-4-carboxylate;methyl 7-bromo-2-[3-(6,8-dihydro-5H-imidazo[2,1-c][1,4]oxazin-2-yl)-2-fluorophenyl]-1H-pyrrolo[2,3-c]pyridine-4-carboxylate;methyl 7-(dibenzylamino)-2-[3-(6,8-dihydro-5H-imidazo[2,1-c][1,4]oxazin-2-yl)-2-fluorophenyl]-1H-pyrrolo[2,3-c]pyridine-4-carboxylate;methyl 2-[3-(6,8-dihydro-5H-imidazo[2,1-c][1,4]oxazin-2-yl)-2-fluorophenyl]-7-[(1-methylpyrazol-3-yl)methyl]-1H-pyrrolo[2,3-c]pyridine-4-carboxylate;1-methylpyrazol-3-amine.
What is the SMILES notation for 1-[2-[3-(6,8-dihydro-5H-imidazo[2,1-c][1,4]oxazin-2-yl)-2-fluorophenyl]-7-[(1-methylpyrazol-3-yl)methyl]-1H-pyrrolo[2,3-c]pyridin-4-yl]propan-1-one;methyl 7-amino-2-[3-(6,8-dihydro-5H-imidazo[2,1-c][1,4]oxazin-2-yl)-2-fluorophenyl]-1H-pyrrolo[2,3-c]pyridine-4-carboxylate;methyl 7-bromo-2-[3-(6,8-dihydro-5H-imidazo[2,1-c][1,4]oxazin-2-yl)-2-fluorophenyl]-1H-pyrrolo[2,3-c]pyridine-4-carboxylate;methyl 7-(dibenzylamino)-2-[3-(6,8-dihydro-5H-imidazo[2,1-c][1,4]oxazin-2-yl)-2-fluorophenyl]-1H-pyrrolo[2,3-c]pyridine-4-carboxylate;methyl 2-[3-(6,8-dihydro-5H-imidazo[2,1-c][1,4]oxazin-2-yl)-2-fluorophenyl]-7-[(1-methylpyrazol-3-yl)methyl]-1H-pyrrolo[2,3-c]pyridine-4-carboxylate;1-methylpyrazol-3-amine?
The canonical SMILES for 1-[2-[3-(6,8-dihydro-5H-imidazo[2,1-c][1,4]oxazin-2-yl)-2-fluorophenyl]-7-[(1-methylpyrazol-3-yl)methyl]-1H-pyrrolo[2,3-c]pyridin-4-yl]propan-1-one;methyl 7-amino-2-[3-(6,8-dihydro-5H-imidazo[2,1-c][1,4]oxazin-2-yl)-2-fluorophenyl]-1H-pyrrolo[2,3-c]pyridine-4-carboxylate;methyl 7-bromo-2-[3-(6,8-dihydro-5H-imidazo[2,1-c][1,4]oxazin-2-yl)-2-fluorophenyl]-1H-pyrrolo[2,3-c]pyridine-4-carboxylate;methyl 7-(dibenzylamino)-2-[3-(6,8-dihydro-5H-imidazo[2,1-c][1,4]oxazin-2-yl)-2-fluorophenyl]-1H-pyrrolo[2,3-c]pyridine-4-carboxylate;methyl 2-[3-(6,8-dihydro-5H-imidazo[2,1-c][1,4]oxazin-2-yl)-2-fluorophenyl]-7-[(1-methylpyrazol-3-yl)methyl]-1H-pyrrolo[2,3-c]pyridine-4-carboxylate;1-methylpyrazol-3-amine is CCC(=O)c1cnc(Cc2ccn(C)n2)c2[nH]c(-c3cccc(-c4cn5c(n4)COCC5)c3F)cc12.COC(=O)c1cnc(Br)c2[nH]c(-c3cccc(-c4cn5c(n4)COCC5)c3F)cc12.COC(=O)c1cnc(Cc2ccn(C)n2)c2[nH]c(-c3cccc(-c4cn5c(n4)COCC5)c3F)cc12.COC(=O)c1cnc(N(Cc2ccccc2)Cc2ccccc2)c2[nH]c(-c3cccc(-c4cn5c(n4)COCC5)c3F)cc12.COC(=O)c1cnc(N)c2[nH]c(-c3cccc(-c4cn5c(n4)COCC5)c3F)cc12.Cn1ccc(N)n1.
What is the InChIKey of 1-[2-[3-(6,8-dihydro-5H-imidazo[2,1-c][1,4]oxazin-2-yl)-2-fluorophenyl]-7-[(1-methylpyrazol-3-yl)methyl]-1H-pyrrolo[2,3-c]pyridin-4-yl]propan-1-one;methyl 7-amino-2-[3-(6,8-dihydro-5H-imidazo[2,1-c][1,4]oxazin-2-yl)-2-fluorophenyl]-1H-pyrrolo[2,3-c]pyridine-4-carboxylate;methyl 7-bromo-2-[3-(6,8-dihydro-5H-imidazo[2,1-c][1,4]oxazin-2-yl)-2-fluorophenyl]-1H-pyrrolo[2,3-c]pyridine-4-carboxylate;methyl 7-(dibenzylamino)-2-[3-(6,8-dihydro-5H-imidazo[2,1-c][1,4]oxazin-2-yl)-2-fluorophenyl]-1H-pyrrolo[2,3-c]pyridine-4-carboxylate;methyl 2-[3-(6,8-dihydro-5H-imidazo[2,1-c][1,4]oxazin-2-yl)-2-fluorophenyl]-7-[(1-methylpyrazol-3-yl)methyl]-1H-pyrrolo[2,3-c]pyridine-4-carboxylate;1-methylpyrazol-3-amine?
The InChIKey is KNJCDEVWENAFSS-UHFFFAOYSA-N. The full InChI is InChI=1S/C35H30FN5O3.C27H25FN6O2.C26H23FN6O3.C21H16BrFN4O3.C21H18FN5O3.C4H7N3/c1-43-35(42)28-18-37-34(41(19-23-9-4-2-5-10-23)20-24-11-6-3-7-12-24)33-27(28)17-29(39-33)25-13-8-14-26(32(25)36)30-21-40-15-16-44-22-31(40)38-30;1-3-24(35)20-13-29-22(11-16-7-8-33(2)32-16)27-19(20)12-21(31-27)17-5-4-6-18(26(17)28)23-14-34-9-10-36-15-25(34)30-23;1-32-7-6-15(31-32)10-21-25-18(19(12-28-21)26(34)35-2)11-20(30-25)16-4-3-5-17(24(16)27)22-13-33-8-9-36-14-23(33)29-22;1-29-21(28)14-8-24-20(22)19-13(14)7-15(26-19)11-3-2-4-12(18(11)23)16-9-27-5-6-30-10-17(27)25-16;1-29-21(28)14-8-24-20(23)19-13(14)7-15(26-19)11-3-2-4-12(18(11)22)16-9-27-5-6-30-10-17(27)25-16;1-7-3-2-4(5)6-7/h2-14,17-18,21,39H,15-16,19-20,22H2,1H3;4-8,12-14,31H,3,9-11,15H2,1-2H3;3-7,11-13,30H,8-10,14H2,1-2H3;2-4,7-9,26H,5-6,10H2,1H3;2-4,7-9,26H,5-6,10H2,1H3,(H2,23,24);2-3H,1H3,(H2,5,6).
What are the key properties of 1-[2-[3-(6,8-dihydro-5H-imidazo[2,1-c][1,4]oxazin-2-yl)-2-fluorophenyl]-7-[(1-methylpyrazol-3-yl)methyl]-1H-pyrrolo[2,3-c]pyridin-4-yl]propan-1-one;methyl 7-amino-2-[3-(6,8-dihydro-5H-imidazo[2,1-c][1,4]oxazin-2-yl)-2-fluorophenyl]-1H-pyrrolo[2,3-c]pyridine-4-carboxylate;methyl 7-bromo-2-[3-(6,8-dihydro-5H-imidazo[2,1-c][1,4]oxazin-2-yl)-2-fluorophenyl]-1H-pyrrolo[2,3-c]pyridine-4-carboxylate;methyl 7-(dibenzylamino)-2-[3-(6,8-dihydro-5H-imidazo[2,1-c][1,4]oxazin-2-yl)-2-fluorophenyl]-1H-pyrrolo[2,3-c]pyridine-4-carboxylate;methyl 2-[3-(6,8-dihydro-5H-imidazo[2,1-c][1,4]oxazin-2-yl)-2-fluorophenyl]-7-[(1-methylpyrazol-3-yl)methyl]-1H-pyrrolo[2,3-c]pyridine-4-carboxylate;1-methylpyrazol-3-amine?
1-[2-[3-(6,8-dihydro-5H-imidazo[2,1-c][1,4]oxazin-2-yl)-2-fluorophenyl]-7-[(1-methylpyrazol-3-yl)methyl]-1H-pyrrolo[2,3-c]pyridin-4-yl]propan-1-one;methyl 7-amino-2-[3-(6,8-dihydro-5H-imidazo[2,1-c][1,4]oxazin-2-yl)-2-fluorophenyl]-1H-pyrrolo[2,3-c]pyridine-4-carboxylate;methyl 7-bromo-2-[3-(6,8-dihydro-5H-imidazo[2,1-c][1,4]oxazin-2-yl)-2-fluorophenyl]-1H-pyrrolo[2,3-c]pyridine-4-carboxylate;methyl 7-(dibenzylamino)-2-[3-(6,8-dihydro-5H-imidazo[2,1-c][1,4]oxazin-2-yl)-2-fluorophenyl]-1H-pyrrolo[2,3-c]pyridine-4-carboxylate;methyl 2-[3-(6,8-dihydro-5H-imidazo[2,1-c][1,4]oxazin-2-yl)-2-fluorophenyl]-7-[(1-methylpyrazol-3-yl)methyl]-1H-pyrrolo[2,3-c]pyridine-4-carboxylate;1-methylpyrazol-3-amine has a molecular weight of 2534.51 g/mol, XLogP of 22.75, 25 rotatable bonds, 7 hydrogen bond donors, and 38 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[2-[3-(6,8-dihydro-5H-imidazo[2,1-c][1,4]oxazin-2-yl)-2-fluorophenyl]-7-[(1-methylpyrazol-3-yl)methyl]-1H-pyrrolo[2,3-c]pyridin-4-yl]propan-1-one;methyl 7-amino-2-[3-(6,8-dihydro-5H-imidazo[2,1-c][1,4]oxazin-2-yl)-2-fluorophenyl]-1H-pyrrolo[2,3-c]pyridine-4-carboxylate;methyl 7-bromo-2-[3-(6,8-dihydro-5H-imidazo[2,1-c][1,4]oxazin-2-yl)-2-fluorophenyl]-1H-pyrrolo[2,3-c]pyridine-4-carboxylate;methyl 7-(dibenzylamino)-2-[3-(6,8-dihydro-5H-imidazo[2,1-c][1,4]oxazin-2-yl)-2-fluorophenyl]-1H-pyrrolo[2,3-c]pyridine-4-carboxylate;methyl 2-[3-(6,8-dihydro-5H-imidazo[2,1-c][1,4]oxazin-2-yl)-2-fluorophenyl]-7-[(1-methylpyrazol-3-yl)methyl]-1H-pyrrolo[2,3-c]pyridine-4-carboxylate;1-methylpyrazol-3-amine is sourced from PubChem (CID 159184913), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).