1-(3-bromopyrazol-1-yl)-N-(1H-pyrazolo[4,3-b]pyridin-3-yl)isoquinolin-6-amine;1-(6,7-dihydro-5H-pyrazolo[1,5-a]pyrimidin-4-yl)-N-(1H-pyrazolo[4,3-b]pyridin-3-yl)isoquinolin-6-amine;3-methyl-1-piperidin-1-yl-N-(1H-pyrazolo[4,3-b]pyridin-3-yl)isoquinolin-6-amine;3-methyl-N-(1H-pyrazolo[4,3-b]pyridin-3-yl)-1-pyrazol-1-ylisoquinolin-6-amine;3-methyl-N-(1H-pyrazolo[4,3-b]pyridin-3-yl)-1-pyrrolidin-1-ylisoquinolin-6-amine

C99H87BrN34 — CID 158007773

About 1-(3-bromopyrazol-1-yl)-N-(1H-pyrazolo[4,3-b]pyridin-3-yl)isoquinolin-6-amine;1-(6,7-dihydro-5H-pyrazolo[1,5-a]pyrimidin-4-yl)-N-(1H-pyrazolo[4,3-b]pyridin-3-yl)isoquinolin-6-amine;3-methyl-1-piperidin-1-yl-N-(1H-pyrazolo[4,3-b]pyridin-3-yl)isoquinolin-6-amine;3-methyl-N-(1H-pyrazolo[4,3-b]pyridin-3-yl)-1-pyrazol-1-ylisoquinolin-6-amine;3-methyl-N-(1H-pyrazolo[4,3-b]pyridin-3-yl)-1-pyrrolidin-1-ylisoquinolin-6-amine

1-(3-bromopyrazol-1-yl)-N-(1H-pyrazolo[4,3-b]pyridin-3-yl)isoquinolin-6-amine;1-(6,7-dihydro-5H-pyrazolo[1,5-a]pyrimidin-4-yl)-N-(1H-pyrazolo[4,3-b]pyridin-3-yl)isoquinolin-6-amine;3-methyl-1-piperidin-1-yl-N-(1H-pyrazolo[4,3-b]pyridin-3-yl)isoquinolin-6-amine;3-methyl-N-(1H-pyrazolo[4,3-b]pyridin-3-yl)-1-pyrazol-1-ylisoquinolin-6-amine;3-methyl-N-(1H-pyrazolo[4,3-b]pyridin-3-yl)-1-pyrrolidin-1-ylisoquinolin-6-amine (PubChem CID 158007773) has the molecular formula C99H87BrN34 and a molecular weight of 1832.93 g/mol. Its IUPAC name is 1-(3-bromopyrazol-1-yl)-N-(1H-pyrazolo[4,3-b]pyridin-3-yl)isoquinolin-6-amine;1-(6,7-dihydro-5H-pyrazolo[1,5-a]pyrimidin-4-yl)-N-(1H-pyrazolo[4,3-b]pyridin-3-yl)isoquinolin-6-amine;3-methyl-1-piperidin-1-yl-N-(1H-pyrazolo[4,3-b]pyridin-3-yl)isoquinolin-6-amine;3-methyl-N-(1H-pyrazolo[4,3-b]pyridin-3-yl)-1-pyrazol-1-ylisoquinolin-6-amine;3-methyl-N-(1H-pyrazolo[4,3-b]pyridin-3-yl)-1-pyrrolidin-1-ylisoquinolin-6-amine.

Molecular Properties

• Compound Name: 1-(3-bromopyrazol-1-yl)-N-(1H-pyrazolo[4,3-b]pyridin-3-yl)isoquinolin-6-amine;1-(6,7-dihydro-5H-pyrazolo[1,5-a]pyrimidin-4-yl)-N-(1H-pyrazolo[4,3-b]pyridin-3-yl)isoquinolin-6-amine;3-methyl-1-piperidin-1-yl-N-(1H-pyrazolo[4,3-b]pyridin-3-yl)isoquinolin-6-amine;3-methyl-N-(1H-pyrazolo[4,3-b]pyridin-3-yl)-1-pyrazol-1-ylisoquinolin-6-amine;3-methyl-N-(1H-pyrazolo[4,3-b]pyridin-3-yl)-1-pyrrolidin-1-ylisoquinolin-6-amine
• PubChem CID: 158007773
• Molecular Formula: C99H87BrN34
• Molecular Weight: 1832.93 g/mol
• Exact Mass: 1830.70
• IUPAC Name: 1-(3-bromopyrazol-1-yl)-N-(1H-pyrazolo[4,3-b]pyridin-3-yl)isoquinolin-6-amine;1-(6,7-dihydro-5H-pyrazolo[1,5-a]pyrimidin-4-yl)-N-(1H-pyrazolo[4,3-b]pyridin-3-yl)isoquinolin-6-amine;3-methyl-1-piperidin-1-yl-N-(1H-pyrazolo[4,3-b]pyridin-3-yl)isoquinolin-6-amine;3-methyl-N-(1H-pyrazolo[4,3-b]pyridin-3-yl)-1-pyrazol-1-ylisoquinolin-6-amine;3-methyl-N-(1H-pyrazolo[4,3-b]pyridin-3-yl)-1-pyrrolidin-1-ylisoquinolin-6-amine
• SMILES: Brc1ccn(-c2nccc3cc(Nc4n[nH]c5cccnc45)ccc23)n1.Cc1cc2cc(Nc3n[nH]c4cccnc34)ccc2c(-n2cccn2)n1.Cc1cc2cc(Nc3n[nH]c4cccnc34)ccc2c(N2CCCC2)n1.Cc1cc2cc(Nc3n[nH]c4cccnc34)ccc2c(N2CCCCC2)n1.c1cnc2c(Nc3ccc4c(N5CCCn6nccc65)nccc4c3)n[nH]c2c1
• InChI: InChI=1S/C21H18N8.C21H22N6.C20H20N6.C19H15N7.C18H12BrN7/c1-3-17-19(22-8-1)20(27-26-17)25-15-4-5-16-14(13-15)6-9-23-21(16)28-11-2-12-29-18(28)7-10-24-29;1-14-12-15-13-16(24-20-19-18(25-26-20)6-5-9-22-19)7-8-17(15)21(23-14)27-10-3-2-4-11-27;1-13-11-14-12-15(23-19-18-17(24-25-19)5-4-8-21-18)6-7-16(14)20(22-13)26-9-2-3-10-26;1-12-10-13-11-14(23-18-17-16(24-25-18)4-2-7-20-17)5-6-15(13)19(22-12)26-9-3-8-21-26;19-15-6-9-26(25-15)18-13-4-3-12(10-11(13)5-8-21-18)22-17-16-14(23-24-17)2-1-7-20-16/h1,3-10,13H,2,11-12H2,(H2,25,26,27);5-9,12-13H,2-4,10-11H2,1H3,(H2,24,25,26);4-8,11-12H,2-3,9-10H2,1H3,(H2,23,24,25);2-11H,1H3,(H2,23,24,25);1-10H,(H2,22,23,24)
• InChIKey: FEMRCCBVIFJTHD-UHFFFAOYSA-N
• XLogP: 20.64
• TPSA: 395.63 Ų
• H-Bond Donors: 10
• H-Bond Acceptors: 29
• Rotatable Bonds: 15
• Heavy Atoms: 134
• Complexity: —

Lipinski Rule of Five

4 violations

Rule	Value
MW ≤ 500	1832.93
LogP ≤ 5	20.64
H-Bond Donors ≤ 5	10
H-Bond Acceptors ≤ 10	29

Frequently Asked Questions

What is the IUPAC name of 1-(3-bromopyrazol-1-yl)-N-(1H-pyrazolo[4,3-b]pyridin-3-yl)isoquinolin-6-amine;1-(6,7-dihydro-5H-pyrazolo[1,5-a]pyrimidin-4-yl)-N-(1H-pyrazolo[4,3-b]pyridin-3-yl)isoquinolin-6-amine;3-methyl-1-piperidin-1-yl-N-(1H-pyrazolo[4,3-b]pyridin-3-yl)isoquinolin-6-amine;3-methyl-N-(1H-pyrazolo[4,3-b]pyridin-3-yl)-1-pyrazol-1-ylisoquinolin-6-amine;3-methyl-N-(1H-pyrazolo[4,3-b]pyridin-3-yl)-1-pyrrolidin-1-ylisoquinolin-6-amine?

The IUPAC name of 1-(3-bromopyrazol-1-yl)-N-(1H-pyrazolo[4,3-b]pyridin-3-yl)isoquinolin-6-amine;1-(6,7-dihydro-5H-pyrazolo[1,5-a]pyrimidin-4-yl)-N-(1H-pyrazolo[4,3-b]pyridin-3-yl)isoquinolin-6-amine;3-methyl-1-piperidin-1-yl-N-(1H-pyrazolo[4,3-b]pyridin-3-yl)isoquinolin-6-amine;3-methyl-N-(1H-pyrazolo[4,3-b]pyridin-3-yl)-1-pyrazol-1-ylisoquinolin-6-amine;3-methyl-N-(1H-pyrazolo[4,3-b]pyridin-3-yl)-1-pyrrolidin-1-ylisoquinolin-6-amine (CID 158007773) is 1-(3-bromopyrazol-1-yl)-N-(1H-pyrazolo[4,3-b]pyridin-3-yl)isoquinolin-6-amine;1-(6,7-dihydro-5H-pyrazolo[1,5-a]pyrimidin-4-yl)-N-(1H-pyrazolo[4,3-b]pyridin-3-yl)isoquinolin-6-amine;3-methyl-1-piperidin-1-yl-N-(1H-pyrazolo[4,3-b]pyridin-3-yl)isoquinolin-6-amine;3-methyl-N-(1H-pyrazolo[4,3-b]pyridin-3-yl)-1-pyrazol-1-ylisoquinolin-6-amine;3-methyl-N-(1H-pyrazolo[4,3-b]pyridin-3-yl)-1-pyrrolidin-1-ylisoquinolin-6-amine.

What is the SMILES notation for 1-(3-bromopyrazol-1-yl)-N-(1H-pyrazolo[4,3-b]pyridin-3-yl)isoquinolin-6-amine;1-(6,7-dihydro-5H-pyrazolo[1,5-a]pyrimidin-4-yl)-N-(1H-pyrazolo[4,3-b]pyridin-3-yl)isoquinolin-6-amine;3-methyl-1-piperidin-1-yl-N-(1H-pyrazolo[4,3-b]pyridin-3-yl)isoquinolin-6-amine;3-methyl-N-(1H-pyrazolo[4,3-b]pyridin-3-yl)-1-pyrazol-1-ylisoquinolin-6-amine;3-methyl-N-(1H-pyrazolo[4,3-b]pyridin-3-yl)-1-pyrrolidin-1-ylisoquinolin-6-amine?

The canonical SMILES for 1-(3-bromopyrazol-1-yl)-N-(1H-pyrazolo[4,3-b]pyridin-3-yl)isoquinolin-6-amine;1-(6,7-dihydro-5H-pyrazolo[1,5-a]pyrimidin-4-yl)-N-(1H-pyrazolo[4,3-b]pyridin-3-yl)isoquinolin-6-amine;3-methyl-1-piperidin-1-yl-N-(1H-pyrazolo[4,3-b]pyridin-3-yl)isoquinolin-6-amine;3-methyl-N-(1H-pyrazolo[4,3-b]pyridin-3-yl)-1-pyrazol-1-ylisoquinolin-6-amine;3-methyl-N-(1H-pyrazolo[4,3-b]pyridin-3-yl)-1-pyrrolidin-1-ylisoquinolin-6-amine is Brc1ccn(-c2nccc3cc(Nc4n[nH]c5cccnc45)ccc23)n1.Cc1cc2cc(Nc3n[nH]c4cccnc34)ccc2c(-n2cccn2)n1.Cc1cc2cc(Nc3n[nH]c4cccnc34)ccc2c(N2CCCC2)n1.Cc1cc2cc(Nc3n[nH]c4cccnc34)ccc2c(N2CCCCC2)n1.c1cnc2c(Nc3ccc4c(N5CCCn6nccc65)nccc4c3)n[nH]c2c1.

What is the InChIKey of 1-(3-bromopyrazol-1-yl)-N-(1H-pyrazolo[4,3-b]pyridin-3-yl)isoquinolin-6-amine;1-(6,7-dihydro-5H-pyrazolo[1,5-a]pyrimidin-4-yl)-N-(1H-pyrazolo[4,3-b]pyridin-3-yl)isoquinolin-6-amine;3-methyl-1-piperidin-1-yl-N-(1H-pyrazolo[4,3-b]pyridin-3-yl)isoquinolin-6-amine;3-methyl-N-(1H-pyrazolo[4,3-b]pyridin-3-yl)-1-pyrazol-1-ylisoquinolin-6-amine;3-methyl-N-(1H-pyrazolo[4,3-b]pyridin-3-yl)-1-pyrrolidin-1-ylisoquinolin-6-amine?

The InChIKey is FEMRCCBVIFJTHD-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H18N8.C21H22N6.C20H20N6.C19H15N7.C18H12BrN7/c1-3-17-19(22-8-1)20(27-26-17)25-15-4-5-16-14(13-15)6-9-23-21(16)28-11-2-12-29-18(28)7-10-24-29;1-14-12-15-13-16(24-20-19-18(25-26-20)6-5-9-22-19)7-8-17(15)21(23-14)27-10-3-2-4-11-27;1-13-11-14-12-15(23-19-18-17(24-25-19)5-4-8-21-18)6-7-16(14)20(22-13)26-9-2-3-10-26;1-12-10-13-11-14(23-18-17-16(24-25-18)4-2-7-20-17)5-6-15(13)19(22-12)26-9-3-8-21-26;19-15-6-9-26(25-15)18-13-4-3-12(10-11(13)5-8-21-18)22-17-16-14(23-24-17)2-1-7-20-16/h1,3-10,13H,2,11-12H2,(H2,25,26,27);5-9,12-13H,2-4,10-11H2,1H3,(H2,24,25,26);4-8,11-12H,2-3,9-10H2,1H3,(H2,23,24,25);2-11H,1H3,(H2,23,24,25);1-10H,(H2,22,23,24).

What are the key properties of 1-(3-bromopyrazol-1-yl)-N-(1H-pyrazolo[4,3-b]pyridin-3-yl)isoquinolin-6-amine;1-(6,7-dihydro-5H-pyrazolo[1,5-a]pyrimidin-4-yl)-N-(1H-pyrazolo[4,3-b]pyridin-3-yl)isoquinolin-6-amine;3-methyl-1-piperidin-1-yl-N-(1H-pyrazolo[4,3-b]pyridin-3-yl)isoquinolin-6-amine;3-methyl-N-(1H-pyrazolo[4,3-b]pyridin-3-yl)-1-pyrazol-1-ylisoquinolin-6-amine;3-methyl-N-(1H-pyrazolo[4,3-b]pyridin-3-yl)-1-pyrrolidin-1-ylisoquinolin-6-amine?

1-(3-bromopyrazol-1-yl)-N-(1H-pyrazolo[4,3-b]pyridin-3-yl)isoquinolin-6-amine;1-(6,7-dihydro-5H-pyrazolo[1,5-a]pyrimidin-4-yl)-N-(1H-pyrazolo[4,3-b]pyridin-3-yl)isoquinolin-6-amine;3-methyl-1-piperidin-1-yl-N-(1H-pyrazolo[4,3-b]pyridin-3-yl)isoquinolin-6-amine;3-methyl-N-(1H-pyrazolo[4,3-b]pyridin-3-yl)-1-pyrazol-1-ylisoquinolin-6-amine;3-methyl-N-(1H-pyrazolo[4,3-b]pyridin-3-yl)-1-pyrrolidin-1-ylisoquinolin-6-amine has a molecular weight of 1832.93 g/mol, XLogP of 20.64, 15 rotatable bonds, 10 hydrogen bond donors, and 29 hydrogen bond acceptors.

Where does this data come from?

All data for 1-(3-bromopyrazol-1-yl)-N-(1H-pyrazolo[4,3-b]pyridin-3-yl)isoquinolin-6-amine;1-(6,7-dihydro-5H-pyrazolo[1,5-a]pyrimidin-4-yl)-N-(1H-pyrazolo[4,3-b]pyridin-3-yl)isoquinolin-6-amine;3-methyl-1-piperidin-1-yl-N-(1H-pyrazolo[4,3-b]pyridin-3-yl)isoquinolin-6-amine;3-methyl-N-(1H-pyrazolo[4,3-b]pyridin-3-yl)-1-pyrazol-1-ylisoquinolin-6-amine;3-methyl-N-(1H-pyrazolo[4,3-b]pyridin-3-yl)-1-pyrrolidin-1-ylisoquinolin-6-amine is sourced from PubChem (CID 158007773), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).