2-cyclopropyl-7-[4-(5-propan-2-yloxy-1H-indazol-3-yl)-2-pyridinyl]-6,8-dihydro-5H-[1,2,4]triazolo[1,5-a]pyrazine;3-[2-(3,3-difluorocyclobutyl)-4-pyridinyl]-5-propan-2-yloxy-1H-indazole;3-[2-(4,4-difluoropiperidin-1-yl)-4-pyridinyl]-5-ethoxy-1H-isoindole;4-[4-(6-ethoxy-3H-isoindol-1-yl)-2-pyridinyl]-1-methylpiperazin-2-one;2-methyl-5-[1-[4-(5-propan-2-yloxy-1H-indazol-3-yl)-2-pyridinyl]piperidin-4-yl]-1,3,4-oxadiazole

C105H113F4N23O7 — CID 159417816

IUPAC2-cyclopropyl-7-[4-(5-propan-2-yloxy-1H-indazol-3-yl)-2-pyridinyl]-6,8-dihydro-5H-[1,2,4]triazolo[1,5-a]pyrazine;3-[2-(3,3-difluorocyclobutyl)-4-pyridinyl]-5-propan-2-yloxy-1H-indazole;3-[2-(4,4-difluoropiperidin-1-yl)-4-pyridinyl]-5-ethoxy-1H-isoindole;4-[4-(6-ethoxy-3H-isoindol-1-yl)-2-pyridinyl]-1-methylpiperazin-2-one;2-methyl-5-[1-[4-(5-propan-2-yloxy-1H-indazol-3-yl)-2-pyridinyl]piperidin-4-yl]-1,3,4-oxadiazole
SMILESCC(C)Oc1ccc2[nH]nc(-c3ccnc(C4CC(F)(F)C4)c3)c2c1.CC(C)Oc1ccc2[nH]nc(-c3ccnc(N4CCn5nc(C6CC6)nc5C4)c3)c2c1.CCOc1ccc2c(c1)C(c1ccnc(N3CCC(F)(F)CC3)c1)=NC2.CCOc1ccc2c(c1)C(c1ccnc(N3CCN(C)C(=O)C3)c1)=NC2.Cc1nnc(C2CCN(c3cc(-c4n[nH]c5ccc(OC(C)C)cc45)ccn3)CC2)o1
InChIInChI=1S/C23H25N7O.C23H26N6O2.C20H21F2N3O.C20H22N4O2.C19H19F2N3O/c1-14(2)31-17-5-6-19-18(12-17)22(27-26-19)16-7-8-24-20(11-16)29-9-10-30-21(13-29)25-23(28-30)15-3-4-15;1-14(2)30-18-4-5-20-19(13-18)22(27-26-20)17-6-9-24-21(12-17)29-10-7-16(8-11-29)23-28-25-15(3)31-23;1-2-26-16-4-3-15-13-24-19(17(15)12-16)14-5-8-23-18(11-14)25-9-6-20(21,22)7-10-25;1-3-26-16-5-4-15-12-22-20(17(15)11-16)14-6-7-21-18(10-14)24-9-8-23(2)19(25)13-24;1-11(2)25-14-3-4-16-15(8-14)18(24-23-16)12-5-6-22-17(7-12)13-9-19(20,21)10-13/h5-8,11-12,14-15H,3-4,9-10,13H2,1-2H3,(H,26,27);4-6,9,12-14,16H,7-8,10-11H2,1-3H3,(H,26,27);3-5,8,11-12H,2,6-7,9-10,13H2,1H3;4-7,10-11H,3,8-9,12-13H2,1-2H3;3-8,11,13H,9-10H2,1-2H3,(H,23,24)
InChIKeyLPJPBVSXMGBSTE-UHFFFAOYSA-N
MW1885.20 g/mol
LogP19.49
Rot. Bonds22

About 2-cyclopropyl-7-[4-(5-propan-2-yloxy-1H-indazol-3-yl)-2-pyridinyl]-6,8-dihydro-5H-[1,2,4]triazolo[1,5-a]pyrazine;3-[2-(3,3-difluorocyclobutyl)-4-pyridinyl]-5-propan-2-yloxy-1H-indazole;3-[2-(4,4-difluoropiperidin-1-yl)-4-pyridinyl]-5-ethoxy-1H-isoindole;4-[4-(6-ethoxy-3H-isoindol-1-yl)-2-pyridinyl]-1-methylpiperazin-2-one;2-methyl-5-[1-[4-(5-propan-2-yloxy-1H-indazol-3-yl)-2-pyridinyl]piperidin-4-yl]-1,3,4-oxadiazole

2-cyclopropyl-7-[4-(5-propan-2-yloxy-1H-indazol-3-yl)-2-pyridinyl]-6,8-dihydro-5H-[1,2,4]triazolo[1,5-a]pyrazine;3-[2-(3,3-difluorocyclobutyl)-4-pyridinyl]-5-propan-2-yloxy-1H-indazole;3-[2-(4,4-difluoropiperidin-1-yl)-4-pyridinyl]-5-ethoxy-1H-isoindole;4-[4-(6-ethoxy-3H-isoindol-1-yl)-2-pyridinyl]-1-methylpiperazin-2-one;2-methyl-5-[1-[4-(5-propan-2-yloxy-1H-indazol-3-yl)-2-pyridinyl]piperidin-4-yl]-1,3,4-oxadiazole (PubChem CID 159417816) has the molecular formula C105H113F4N23O7 and a molecular weight of 1885.20 g/mol. Its IUPAC name is 2-cyclopropyl-7-[4-(5-propan-2-yloxy-1H-indazol-3-yl)-2-pyridinyl]-6,8-dihydro-5H-[1,2,4]triazolo[1,5-a]pyrazine;3-[2-(3,3-difluorocyclobutyl)-4-pyridinyl]-5-propan-2-yloxy-1H-indazole;3-[2-(4,4-difluoropiperidin-1-yl)-4-pyridinyl]-5-ethoxy-1H-isoindole;4-[4-(6-ethoxy-3H-isoindol-1-yl)-2-pyridinyl]-1-methylpiperazin-2-one;2-methyl-5-[1-[4-(5-propan-2-yloxy-1H-indazol-3-yl)-2-pyridinyl]piperidin-4-yl]-1,3,4-oxadiazole.

Molecular Properties

Compound Name2-cyclopropyl-7-[4-(5-propan-2-yloxy-1H-indazol-3-yl)-2-pyridinyl]-6,8-dihydro-5H-[1,2,4]triazolo[1,5-a]pyrazine;3-[2-(3,3-difluorocyclobutyl)-4-pyridinyl]-5-propan-2-yloxy-1H-indazole;3-[2-(4,4-difluoropiperidin-1-yl)-4-pyridinyl]-5-ethoxy-1H-isoindole;4-[4-(6-ethoxy-3H-isoindol-1-yl)-2-pyridinyl]-1-methylpiperazin-2-one;2-methyl-5-[1-[4-(5-propan-2-yloxy-1H-indazol-3-yl)-2-pyridinyl]piperidin-4-yl]-1,3,4-oxadiazole
PubChem CID159417816
Molecular FormulaC105H113F4N23O7
Molecular Weight1885.20 g/mol
Exact Mass1883.91
IUPAC Name2-cyclopropyl-7-[4-(5-propan-2-yloxy-1H-indazol-3-yl)-2-pyridinyl]-6,8-dihydro-5H-[1,2,4]triazolo[1,5-a]pyrazine;3-[2-(3,3-difluorocyclobutyl)-4-pyridinyl]-5-propan-2-yloxy-1H-indazole;3-[2-(4,4-difluoropiperidin-1-yl)-4-pyridinyl]-5-ethoxy-1H-isoindole;4-[4-(6-ethoxy-3H-isoindol-1-yl)-2-pyridinyl]-1-methylpiperazin-2-one;2-methyl-5-[1-[4-(5-propan-2-yloxy-1H-indazol-3-yl)-2-pyridinyl]piperidin-4-yl]-1,3,4-oxadiazole
SMILESCC(C)Oc1ccc2[nH]nc(-c3ccnc(C4CC(F)(F)C4)c3)c2c1.CC(C)Oc1ccc2[nH]nc(-c3ccnc(N4CCn5nc(C6CC6)nc5C4)c3)c2c1.CCOc1ccc2c(c1)C(c1ccnc(N3CCC(F)(F)CC3)c1)=NC2.CCOc1ccc2c(c1)C(c1ccnc(N3CCN(C)C(=O)C3)c1)=NC2.Cc1nnc(C2CCN(c3cc(-c4n[nH]c5ccc(OC(C)C)cc45)ccn3)CC2)o1
InChIInChI=1S/C23H25N7O.C23H26N6O2.C20H21F2N3O.C20H22N4O2.C19H19F2N3O/c1-14(2)31-17-5-6-19-18(12-17)22(27-26-19)16-7-8-24-20(11-16)29-9-10-30-21(13-29)25-23(28-30)15-3-4-15;1-14(2)30-18-4-5-20-19(13-18)22(27-26-20)17-6-9-24-21(12-17)29-10-7-16(8-11-29)23-28-25-15(3)31-23;1-2-26-16-4-3-15-13-24-19(17(15)12-16)14-5-8-23-18(11-14)25-9-6-20(21,22)7-10-25;1-3-26-16-5-4-15-12-22-20(17(15)11-16)14-6-7-21-18(10-14)24-9-8-23(2)19(25)13-24;1-11(2)25-14-3-4-16-15(8-14)18(24-23-16)12-5-6-22-17(7-12)13-9-19(20,21)10-13/h5-8,11-12,14-15H,3-4,9-10,13H2,1-2H3,(H,26,27);4-6,9,12-14,16H,7-8,10-11H2,1-3H3,(H,26,27);3-5,8,11-12H,2,6-7,9-10,13H2,1H3;4-7,10-11H,3,8-9,12-13H2,1-2H3;3-8,11,13H,9-10H2,1-2H3,(H,23,24)
InChIKeyLPJPBVSXMGBSTE-UHFFFAOYSA-N
XLogP19.49
TPSA324.26 Ų
H-Bond Donors3
H-Bond Acceptors26
Rotatable Bonds22
Heavy Atoms139
Complexity

Lipinski Rule of Five

3 violations

RuleValue
MW ≤ 5001885.20
LogP ≤ 519.49
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 1026

Analyze 2-cyclopropyl-7-[4-(5-propan-2-yloxy-1H-indazol-3-yl)-2-pyridinyl]-6,8-dihydro-5H-[1,2,4]triazolo[1,5-a]pyrazine;3-[2-(3,3-difluorocyclobutyl)-4-pyridinyl]-5-propan-2-yloxy-1H-indazole;3-[2-(4,4-difluoropiperidin-1-yl)-4-pyridinyl]-5-ethoxy-1H-isoindole;4-[4-(6-ethoxy-3H-isoindol-1-yl)-2-pyridinyl]-1-methylpiperazin-2-one;2-methyl-5-[1-[4-(5-propan-2-yloxy-1H-indazol-3-yl)-2-pyridinyl]piperidin-4-yl]-1,3,4-oxadiazole with MolForge

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Frequently Asked Questions

What is the IUPAC name of 2-cyclopropyl-7-[4-(5-propan-2-yloxy-1H-indazol-3-yl)-2-pyridinyl]-6,8-dihydro-5H-[1,2,4]triazolo[1,5-a]pyrazine;3-[2-(3,3-difluorocyclobutyl)-4-pyridinyl]-5-propan-2-yloxy-1H-indazole;3-[2-(4,4-difluoropiperidin-1-yl)-4-pyridinyl]-5-ethoxy-1H-isoindole;4-[4-(6-ethoxy-3H-isoindol-1-yl)-2-pyridinyl]-1-methylpiperazin-2-one;2-methyl-5-[1-[4-(5-propan-2-yloxy-1H-indazol-3-yl)-2-pyridinyl]piperidin-4-yl]-1,3,4-oxadiazole?
The IUPAC name of 2-cyclopropyl-7-[4-(5-propan-2-yloxy-1H-indazol-3-yl)-2-pyridinyl]-6,8-dihydro-5H-[1,2,4]triazolo[1,5-a]pyrazine;3-[2-(3,3-difluorocyclobutyl)-4-pyridinyl]-5-propan-2-yloxy-1H-indazole;3-[2-(4,4-difluoropiperidin-1-yl)-4-pyridinyl]-5-ethoxy-1H-isoindole;4-[4-(6-ethoxy-3H-isoindol-1-yl)-2-pyridinyl]-1-methylpiperazin-2-one;2-methyl-5-[1-[4-(5-propan-2-yloxy-1H-indazol-3-yl)-2-pyridinyl]piperidin-4-yl]-1,3,4-oxadiazole (CID 159417816) is 2-cyclopropyl-7-[4-(5-propan-2-yloxy-1H-indazol-3-yl)-2-pyridinyl]-6,8-dihydro-5H-[1,2,4]triazolo[1,5-a]pyrazine;3-[2-(3,3-difluorocyclobutyl)-4-pyridinyl]-5-propan-2-yloxy-1H-indazole;3-[2-(4,4-difluoropiperidin-1-yl)-4-pyridinyl]-5-ethoxy-1H-isoindole;4-[4-(6-ethoxy-3H-isoindol-1-yl)-2-pyridinyl]-1-methylpiperazin-2-one;2-methyl-5-[1-[4-(5-propan-2-yloxy-1H-indazol-3-yl)-2-pyridinyl]piperidin-4-yl]-1,3,4-oxadiazole.
What is the SMILES notation for 2-cyclopropyl-7-[4-(5-propan-2-yloxy-1H-indazol-3-yl)-2-pyridinyl]-6,8-dihydro-5H-[1,2,4]triazolo[1,5-a]pyrazine;3-[2-(3,3-difluorocyclobutyl)-4-pyridinyl]-5-propan-2-yloxy-1H-indazole;3-[2-(4,4-difluoropiperidin-1-yl)-4-pyridinyl]-5-ethoxy-1H-isoindole;4-[4-(6-ethoxy-3H-isoindol-1-yl)-2-pyridinyl]-1-methylpiperazin-2-one;2-methyl-5-[1-[4-(5-propan-2-yloxy-1H-indazol-3-yl)-2-pyridinyl]piperidin-4-yl]-1,3,4-oxadiazole?
The canonical SMILES for 2-cyclopropyl-7-[4-(5-propan-2-yloxy-1H-indazol-3-yl)-2-pyridinyl]-6,8-dihydro-5H-[1,2,4]triazolo[1,5-a]pyrazine;3-[2-(3,3-difluorocyclobutyl)-4-pyridinyl]-5-propan-2-yloxy-1H-indazole;3-[2-(4,4-difluoropiperidin-1-yl)-4-pyridinyl]-5-ethoxy-1H-isoindole;4-[4-(6-ethoxy-3H-isoindol-1-yl)-2-pyridinyl]-1-methylpiperazin-2-one;2-methyl-5-[1-[4-(5-propan-2-yloxy-1H-indazol-3-yl)-2-pyridinyl]piperidin-4-yl]-1,3,4-oxadiazole is CC(C)Oc1ccc2[nH]nc(-c3ccnc(C4CC(F)(F)C4)c3)c2c1.CC(C)Oc1ccc2[nH]nc(-c3ccnc(N4CCn5nc(C6CC6)nc5C4)c3)c2c1.CCOc1ccc2c(c1)C(c1ccnc(N3CCC(F)(F)CC3)c1)=NC2.CCOc1ccc2c(c1)C(c1ccnc(N3CCN(C)C(=O)C3)c1)=NC2.Cc1nnc(C2CCN(c3cc(-c4n[nH]c5ccc(OC(C)C)cc45)ccn3)CC2)o1.
What is the InChIKey of 2-cyclopropyl-7-[4-(5-propan-2-yloxy-1H-indazol-3-yl)-2-pyridinyl]-6,8-dihydro-5H-[1,2,4]triazolo[1,5-a]pyrazine;3-[2-(3,3-difluorocyclobutyl)-4-pyridinyl]-5-propan-2-yloxy-1H-indazole;3-[2-(4,4-difluoropiperidin-1-yl)-4-pyridinyl]-5-ethoxy-1H-isoindole;4-[4-(6-ethoxy-3H-isoindol-1-yl)-2-pyridinyl]-1-methylpiperazin-2-one;2-methyl-5-[1-[4-(5-propan-2-yloxy-1H-indazol-3-yl)-2-pyridinyl]piperidin-4-yl]-1,3,4-oxadiazole?
The InChIKey is LPJPBVSXMGBSTE-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H25N7O.C23H26N6O2.C20H21F2N3O.C20H22N4O2.C19H19F2N3O/c1-14(2)31-17-5-6-19-18(12-17)22(27-26-19)16-7-8-24-20(11-16)29-9-10-30-21(13-29)25-23(28-30)15-3-4-15;1-14(2)30-18-4-5-20-19(13-18)22(27-26-20)17-6-9-24-21(12-17)29-10-7-16(8-11-29)23-28-25-15(3)31-23;1-2-26-16-4-3-15-13-24-19(17(15)12-16)14-5-8-23-18(11-14)25-9-6-20(21,22)7-10-25;1-3-26-16-5-4-15-12-22-20(17(15)11-16)14-6-7-21-18(10-14)24-9-8-23(2)19(25)13-24;1-11(2)25-14-3-4-16-15(8-14)18(24-23-16)12-5-6-22-17(7-12)13-9-19(20,21)10-13/h5-8,11-12,14-15H,3-4,9-10,13H2,1-2H3,(H,26,27);4-6,9,12-14,16H,7-8,10-11H2,1-3H3,(H,26,27);3-5,8,11-12H,2,6-7,9-10,13H2,1H3;4-7,10-11H,3,8-9,12-13H2,1-2H3;3-8,11,13H,9-10H2,1-2H3,(H,23,24).
What are the key properties of 2-cyclopropyl-7-[4-(5-propan-2-yloxy-1H-indazol-3-yl)-2-pyridinyl]-6,8-dihydro-5H-[1,2,4]triazolo[1,5-a]pyrazine;3-[2-(3,3-difluorocyclobutyl)-4-pyridinyl]-5-propan-2-yloxy-1H-indazole;3-[2-(4,4-difluoropiperidin-1-yl)-4-pyridinyl]-5-ethoxy-1H-isoindole;4-[4-(6-ethoxy-3H-isoindol-1-yl)-2-pyridinyl]-1-methylpiperazin-2-one;2-methyl-5-[1-[4-(5-propan-2-yloxy-1H-indazol-3-yl)-2-pyridinyl]piperidin-4-yl]-1,3,4-oxadiazole?
2-cyclopropyl-7-[4-(5-propan-2-yloxy-1H-indazol-3-yl)-2-pyridinyl]-6,8-dihydro-5H-[1,2,4]triazolo[1,5-a]pyrazine;3-[2-(3,3-difluorocyclobutyl)-4-pyridinyl]-5-propan-2-yloxy-1H-indazole;3-[2-(4,4-difluoropiperidin-1-yl)-4-pyridinyl]-5-ethoxy-1H-isoindole;4-[4-(6-ethoxy-3H-isoindol-1-yl)-2-pyridinyl]-1-methylpiperazin-2-one;2-methyl-5-[1-[4-(5-propan-2-yloxy-1H-indazol-3-yl)-2-pyridinyl]piperidin-4-yl]-1,3,4-oxadiazole has a molecular weight of 1885.20 g/mol, XLogP of 19.49, 22 rotatable bonds, 3 hydrogen bond donors, and 26 hydrogen bond acceptors.
Where does this data come from?
All data for 2-cyclopropyl-7-[4-(5-propan-2-yloxy-1H-indazol-3-yl)-2-pyridinyl]-6,8-dihydro-5H-[1,2,4]triazolo[1,5-a]pyrazine;3-[2-(3,3-difluorocyclobutyl)-4-pyridinyl]-5-propan-2-yloxy-1H-indazole;3-[2-(4,4-difluoropiperidin-1-yl)-4-pyridinyl]-5-ethoxy-1H-isoindole;4-[4-(6-ethoxy-3H-isoindol-1-yl)-2-pyridinyl]-1-methylpiperazin-2-one;2-methyl-5-[1-[4-(5-propan-2-yloxy-1H-indazol-3-yl)-2-pyridinyl]piperidin-4-yl]-1,3,4-oxadiazole is sourced from PubChem (CID 159417816), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).