N-[5-[[(1S)-1-[5-cyclopropyl-7-(2-oxo-3-azabicyclo[3.1.0]hexan-3-yl)pyrazolo[1,5-a]pyridin-2-yl]ethyl]amino]-1,2,4-triazin-3-yl]-2-(4-methylpyrimidin-2-yl)cyclopropane-1-carboxamide

C29H30N10O2 — CID 171758817

About N-[5-[[(1S)-1-[5-cyclopropyl-7-(2-oxo-3-azabicyclo[3.1.0]hexan-3-yl)pyrazolo[1,5-a]pyridin-2-yl]ethyl]amino]-1,2,4-triazin-3-yl]-2-(4-methylpyrimidin-2-yl)cyclopropane-1-carboxamide

N-[5-[[(1S)-1-[5-cyclopropyl-7-(2-oxo-3-azabicyclo[3.1.0]hexan-3-yl)pyrazolo[1,5-a]pyridin-2-yl]ethyl]amino]-1,2,4-triazin-3-yl]-2-(4-methylpyrimidin-2-yl)cyclopropane-1-carboxamide (PubChem CID 171758817) has the molecular formula C29H30N10O2 and a molecular weight of 550.63 g/mol. Its IUPAC name is N-[5-[[(1S)-1-[5-cyclopropyl-7-(2-oxo-3-azabicyclo[3.1.0]hexan-3-yl)pyrazolo[1,5-a]pyridin-2-yl]ethyl]amino]-1,2,4-triazin-3-yl]-2-(4-methylpyrimidin-2-yl)cyclopropane-1-carboxamide.

Molecular Properties

• Compound Name: N-[5-[[(1S)-1-[5-cyclopropyl-7-(2-oxo-3-azabicyclo[3.1.0]hexan-3-yl)pyrazolo[1,5-a]pyridin-2-yl]ethyl]amino]-1,2,4-triazin-3-yl]-2-(4-methylpyrimidin-2-yl)cyclopropane-1-carboxamide
• PubChem CID: 171758817
• Molecular Formula: C29H30N10O2
• Molecular Weight: 550.63 g/mol
• Exact Mass: 550.26
• IUPAC Name: N-[5-[[(1S)-1-[5-cyclopropyl-7-(2-oxo-3-azabicyclo[3.1.0]hexan-3-yl)pyrazolo[1,5-a]pyridin-2-yl]ethyl]amino]-1,2,4-triazin-3-yl]-2-(4-methylpyrimidin-2-yl)cyclopropane-1-carboxamide
• SMILES: Cc1ccnc(C2CC2C(=O)Nc2nncc(N[C@@H](C)c3cc4cc(C5CC5)cc(N5CC6CC6C5=O)n4n3)n2)n1
• InChI: InChI=1S/C29H30N10O2/c1-14-5-6-30-26(32-14)21-11-22(21)27(40)35-29-34-24(12-31-36-29)33-15(2)23-10-19-7-17(16-3-4-16)9-25(39(19)37-23)38-13-18-8-20(18)28(38)41/h5-7,9-10,12,15-16,18,20-22H,3-4,8,11,13H2,1-2H3,(H2,33,34,35,36,40)/t15-,18?,20?,21?,22?/m0/s1
• InChIKey: JYZNKEOYZNTWQF-SWOOVLCTSA-N
• XLogP: 3.39
• TPSA: 143.19 Ų
• H-Bond Donors: 2
• H-Bond Acceptors: 10
• Rotatable Bonds: 8
• Heavy Atoms: 41
• Complexity: —

Lipinski Rule of Five

1 violation

Rule	Value
MW ≤ 500	550.63
LogP ≤ 5	3.39
H-Bond Donors ≤ 5	2
H-Bond Acceptors ≤ 10	10

Frequently Asked Questions

What is the IUPAC name of N-[5-[[(1S)-1-[5-cyclopropyl-7-(2-oxo-3-azabicyclo[3.1.0]hexan-3-yl)pyrazolo[1,5-a]pyridin-2-yl]ethyl]amino]-1,2,4-triazin-3-yl]-2-(4-methylpyrimidin-2-yl)cyclopropane-1-carboxamide?

The IUPAC name of N-[5-[[(1S)-1-[5-cyclopropyl-7-(2-oxo-3-azabicyclo[3.1.0]hexan-3-yl)pyrazolo[1,5-a]pyridin-2-yl]ethyl]amino]-1,2,4-triazin-3-yl]-2-(4-methylpyrimidin-2-yl)cyclopropane-1-carboxamide (CID 171758817) is N-[5-[[(1S)-1-[5-cyclopropyl-7-(2-oxo-3-azabicyclo[3.1.0]hexan-3-yl)pyrazolo[1,5-a]pyridin-2-yl]ethyl]amino]-1,2,4-triazin-3-yl]-2-(4-methylpyrimidin-2-yl)cyclopropane-1-carboxamide.

What is the SMILES notation for N-[5-[[(1S)-1-[5-cyclopropyl-7-(2-oxo-3-azabicyclo[3.1.0]hexan-3-yl)pyrazolo[1,5-a]pyridin-2-yl]ethyl]amino]-1,2,4-triazin-3-yl]-2-(4-methylpyrimidin-2-yl)cyclopropane-1-carboxamide?

The canonical SMILES for N-[5-[[(1S)-1-[5-cyclopropyl-7-(2-oxo-3-azabicyclo[3.1.0]hexan-3-yl)pyrazolo[1,5-a]pyridin-2-yl]ethyl]amino]-1,2,4-triazin-3-yl]-2-(4-methylpyrimidin-2-yl)cyclopropane-1-carboxamide is Cc1ccnc(C2CC2C(=O)Nc2nncc(N[C@@H](C)c3cc4cc(C5CC5)cc(N5CC6CC6C5=O)n4n3)n2)n1.

What is the InChIKey of N-[5-[[(1S)-1-[5-cyclopropyl-7-(2-oxo-3-azabicyclo[3.1.0]hexan-3-yl)pyrazolo[1,5-a]pyridin-2-yl]ethyl]amino]-1,2,4-triazin-3-yl]-2-(4-methylpyrimidin-2-yl)cyclopropane-1-carboxamide?

The InChIKey is JYZNKEOYZNTWQF-SWOOVLCTSA-N. The full InChI is InChI=1S/C29H30N10O2/c1-14-5-6-30-26(32-14)21-11-22(21)27(40)35-29-34-24(12-31-36-29)33-15(2)23-10-19-7-17(16-3-4-16)9-25(39(19)37-23)38-13-18-8-20(18)28(38)41/h5-7,9-10,12,15-16,18,20-22H,3-4,8,11,13H2,1-2H3,(H2,33,34,35,36,40)/t15-,18?,20?,21?,22?/m0/s1.

What are the key properties of N-[5-[[(1S)-1-[5-cyclopropyl-7-(2-oxo-3-azabicyclo[3.1.0]hexan-3-yl)pyrazolo[1,5-a]pyridin-2-yl]ethyl]amino]-1,2,4-triazin-3-yl]-2-(4-methylpyrimidin-2-yl)cyclopropane-1-carboxamide?

N-[5-[[(1S)-1-[5-cyclopropyl-7-(2-oxo-3-azabicyclo[3.1.0]hexan-3-yl)pyrazolo[1,5-a]pyridin-2-yl]ethyl]amino]-1,2,4-triazin-3-yl]-2-(4-methylpyrimidin-2-yl)cyclopropane-1-carboxamide has a molecular weight of 550.63 g/mol, XLogP of 3.39, 8 rotatable bonds, 2 hydrogen bond donors, and 10 hydrogen bond acceptors.

Where does this data come from?

All data for N-[5-[[(1S)-1-[5-cyclopropyl-7-(2-oxo-3-azabicyclo[3.1.0]hexan-3-yl)pyrazolo[1,5-a]pyridin-2-yl]ethyl]amino]-1,2,4-triazin-3-yl]-2-(4-methylpyrimidin-2-yl)cyclopropane-1-carboxamide is sourced from PubChem (CID 171758817), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).