[(1S,6R,7S)-3-[3-(4-chloro-2-methylpyrazolo[1,5-a]pyridin-5-yl)-2H-pyrazolo[3,4-b]pyrazin-6-yl]-7-(4-methyl-1,3-thiazol-2-yl)-3-azabicyclo[4.1.0]heptan-7-yl]methanamine

C24H24ClN9S — CID 164851008

About [(1S,6R,7S)-3-[3-(4-chloro-2-methylpyrazolo[1,5-a]pyridin-5-yl)-2H-pyrazolo[3,4-b]pyrazin-6-yl]-7-(4-methyl-1,3-thiazol-2-yl)-3-azabicyclo[4.1.0]heptan-7-yl]methanamine

[(1S,6R,7S)-3-[3-(4-chloro-2-methylpyrazolo[1,5-a]pyridin-5-yl)-2H-pyrazolo[3,4-b]pyrazin-6-yl]-7-(4-methyl-1,3-thiazol-2-yl)-3-azabicyclo[4.1.0]heptan-7-yl]methanamine (PubChem CID 164851008) has the molecular formula C24H24ClN9S and a molecular weight of 506.04 g/mol. Its IUPAC name is [(1S,6R,7S)-3-[3-(4-chloro-2-methylpyrazolo[1,5-a]pyridin-5-yl)-2H-pyrazolo[3,4-b]pyrazin-6-yl]-7-(4-methyl-1,3-thiazol-2-yl)-3-azabicyclo[4.1.0]heptan-7-yl]methanamine.

Molecular Properties

• Compound Name: [(1S,6R,7S)-3-[3-(4-chloro-2-methylpyrazolo[1,5-a]pyridin-5-yl)-2H-pyrazolo[3,4-b]pyrazin-6-yl]-7-(4-methyl-1,3-thiazol-2-yl)-3-azabicyclo[4.1.0]heptan-7-yl]methanamine
• PubChem CID: 164851008
• Molecular Formula: C24H24ClN9S
• Molecular Weight: 506.04 g/mol
• Exact Mass: 505.16
• IUPAC Name: [(1S,6R,7S)-3-[3-(4-chloro-2-methylpyrazolo[1,5-a]pyridin-5-yl)-2H-pyrazolo[3,4-b]pyrazin-6-yl]-7-(4-methyl-1,3-thiazol-2-yl)-3-azabicyclo[4.1.0]heptan-7-yl]methanamine
• SMILES: Cc1csc([C@@]2(CN)[C@@H]3CCN(c4cnc5c(-c6ccn7nc(C)cc7c6Cl)[nH]nc5n4)C[C@@H]32)n1
• InChI: InChI=1S/C24H24ClN9S/c1-12-7-17-19(25)14(3-6-34(17)32-12)20-21-22(31-30-20)29-18(8-27-21)33-5-4-15-16(9-33)24(15,11-26)23-28-13(2)10-35-23/h3,6-8,10,15-16H,4-5,9,11,26H2,1-2H3,(H,29,30,31)/t15-,16+,24+/m1/s1
• InChIKey: RDMJDFNCDDZKHP-YPCHGGDPSA-N
• XLogP: 3.75
• TPSA: 113.91 Ų
• H-Bond Donors: 2
• H-Bond Acceptors: 9
• Rotatable Bonds: 4
• Heavy Atoms: 35
• Complexity: —

Lipinski Rule of Five

1 violation

Rule	Value
MW ≤ 500	506.04
LogP ≤ 5	3.75
H-Bond Donors ≤ 5	2
H-Bond Acceptors ≤ 10	9

Frequently Asked Questions

What is the IUPAC name of [(1S,6R,7S)-3-[3-(4-chloro-2-methylpyrazolo[1,5-a]pyridin-5-yl)-2H-pyrazolo[3,4-b]pyrazin-6-yl]-7-(4-methyl-1,3-thiazol-2-yl)-3-azabicyclo[4.1.0]heptan-7-yl]methanamine?

The IUPAC name of [(1S,6R,7S)-3-[3-(4-chloro-2-methylpyrazolo[1,5-a]pyridin-5-yl)-2H-pyrazolo[3,4-b]pyrazin-6-yl]-7-(4-methyl-1,3-thiazol-2-yl)-3-azabicyclo[4.1.0]heptan-7-yl]methanamine (CID 164851008) is [(1S,6R,7S)-3-[3-(4-chloro-2-methylpyrazolo[1,5-a]pyridin-5-yl)-2H-pyrazolo[3,4-b]pyrazin-6-yl]-7-(4-methyl-1,3-thiazol-2-yl)-3-azabicyclo[4.1.0]heptan-7-yl]methanamine.

What is the SMILES notation for [(1S,6R,7S)-3-[3-(4-chloro-2-methylpyrazolo[1,5-a]pyridin-5-yl)-2H-pyrazolo[3,4-b]pyrazin-6-yl]-7-(4-methyl-1,3-thiazol-2-yl)-3-azabicyclo[4.1.0]heptan-7-yl]methanamine?

The canonical SMILES for [(1S,6R,7S)-3-[3-(4-chloro-2-methylpyrazolo[1,5-a]pyridin-5-yl)-2H-pyrazolo[3,4-b]pyrazin-6-yl]-7-(4-methyl-1,3-thiazol-2-yl)-3-azabicyclo[4.1.0]heptan-7-yl]methanamine is Cc1csc([C@@]2(CN)[C@@H]3CCN(c4cnc5c(-c6ccn7nc(C)cc7c6Cl)[nH]nc5n4)C[C@@H]32)n1.

What is the InChIKey of [(1S,6R,7S)-3-[3-(4-chloro-2-methylpyrazolo[1,5-a]pyridin-5-yl)-2H-pyrazolo[3,4-b]pyrazin-6-yl]-7-(4-methyl-1,3-thiazol-2-yl)-3-azabicyclo[4.1.0]heptan-7-yl]methanamine?

The InChIKey is RDMJDFNCDDZKHP-YPCHGGDPSA-N. The full InChI is InChI=1S/C24H24ClN9S/c1-12-7-17-19(25)14(3-6-34(17)32-12)20-21-22(31-30-20)29-18(8-27-21)33-5-4-15-16(9-33)24(15,11-26)23-28-13(2)10-35-23/h3,6-8,10,15-16H,4-5,9,11,26H2,1-2H3,(H,29,30,31)/t15-,16+,24+/m1/s1.

What are the key properties of [(1S,6R,7S)-3-[3-(4-chloro-2-methylpyrazolo[1,5-a]pyridin-5-yl)-2H-pyrazolo[3,4-b]pyrazin-6-yl]-7-(4-methyl-1,3-thiazol-2-yl)-3-azabicyclo[4.1.0]heptan-7-yl]methanamine?

[(1S,6R,7S)-3-[3-(4-chloro-2-methylpyrazolo[1,5-a]pyridin-5-yl)-2H-pyrazolo[3,4-b]pyrazin-6-yl]-7-(4-methyl-1,3-thiazol-2-yl)-3-azabicyclo[4.1.0]heptan-7-yl]methanamine has a molecular weight of 506.04 g/mol, XLogP of 3.75, 4 rotatable bonds, 2 hydrogen bond donors, and 9 hydrogen bond acceptors.

Where does this data come from?

All data for [(1S,6R,7S)-3-[3-(4-chloro-2-methylpyrazolo[1,5-a]pyridin-5-yl)-2H-pyrazolo[3,4-b]pyrazin-6-yl]-7-(4-methyl-1,3-thiazol-2-yl)-3-azabicyclo[4.1.0]heptan-7-yl]methanamine is sourced from PubChem (CID 164851008), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).