3-[2-(8-cyclopropylimidazo[1,5-a]pyridin-5-yl)ethynyl]-1-[(3S,5R)-5-(methoxymethyl)-1-prop-2-enoylpyrrolidin-3-yl]-5-(methylamino)pyrazole-4-carboxamide

C26H29N7O3 — CID 168927830

About 3-[2-(8-cyclopropylimidazo[1,5-a]pyridin-5-yl)ethynyl]-1-[(3S,5R)-5-(methoxymethyl)-1-prop-2-enoylpyrrolidin-3-yl]-5-(methylamino)pyrazole-4-carboxamide

3-[2-(8-cyclopropylimidazo[1,5-a]pyridin-5-yl)ethynyl]-1-[(3S,5R)-5-(methoxymethyl)-1-prop-2-enoylpyrrolidin-3-yl]-5-(methylamino)pyrazole-4-carboxamide (PubChem CID 168927830) has the molecular formula C26H29N7O3 and a molecular weight of 487.56 g/mol. Its IUPAC name is 3-[2-(8-cyclopropylimidazo[1,5-a]pyridin-5-yl)ethynyl]-1-[(3S,5R)-5-(methoxymethyl)-1-prop-2-enoylpyrrolidin-3-yl]-5-(methylamino)pyrazole-4-carboxamide.

Molecular Properties

• Compound Name: 3-[2-(8-cyclopropylimidazo[1,5-a]pyridin-5-yl)ethynyl]-1-[(3S,5R)-5-(methoxymethyl)-1-prop-2-enoylpyrrolidin-3-yl]-5-(methylamino)pyrazole-4-carboxamide
• PubChem CID: 168927830
• Molecular Formula: C26H29N7O3
• Molecular Weight: 487.56 g/mol
• Exact Mass: 487.23
• IUPAC Name: 3-[2-(8-cyclopropylimidazo[1,5-a]pyridin-5-yl)ethynyl]-1-[(3S,5R)-5-(methoxymethyl)-1-prop-2-enoylpyrrolidin-3-yl]-5-(methylamino)pyrazole-4-carboxamide
• SMILES: C=CC(=O)N1C[C@@H](n2nc(C#Cc3ccc(C4CC4)c4cncn34)c(C(N)=O)c2NC)C[C@@H]1COC
• InChI: InChI=1S/C26H29N7O3/c1-4-23(34)31-13-18(11-19(31)14-36-3)33-26(28-2)24(25(27)35)21(30-33)10-8-17-7-9-20(16-5-6-16)22-12-29-15-32(17)22/h4,7,9,12,15-16,18-19,28H,1,5-6,11,13-14H2,2-3H3,(H2,27,35)/t18-,19+/m0/s1
• InChIKey: DIQGIBVJCGPVDA-RBUKOAKNSA-N
• XLogP: 1.92
• TPSA: 119.78 Ų
• H-Bond Donors: 2
• H-Bond Acceptors: 8
• Rotatable Bonds: 7
• Heavy Atoms: 36
• Complexity: —

Lipinski Rule of Five

Passes Rule of Five

Rule	Value
MW ≤ 500	487.56
LogP ≤ 5	1.92
H-Bond Donors ≤ 5	2
H-Bond Acceptors ≤ 10	8

Computed Properties (RDKit)

• Structural Alerts: {'alert_name': 'Michael_acceptor_1', 'substructure': 'N/A'}, {'alert_name': 'triple_bond', 'substructure': 'N/A'}

Frequently Asked Questions

What is the IUPAC name of 3-[2-(8-cyclopropylimidazo[1,5-a]pyridin-5-yl)ethynyl]-1-[(3S,5R)-5-(methoxymethyl)-1-prop-2-enoylpyrrolidin-3-yl]-5-(methylamino)pyrazole-4-carboxamide?

The IUPAC name of 3-[2-(8-cyclopropylimidazo[1,5-a]pyridin-5-yl)ethynyl]-1-[(3S,5R)-5-(methoxymethyl)-1-prop-2-enoylpyrrolidin-3-yl]-5-(methylamino)pyrazole-4-carboxamide (CID 168927830) is 3-[2-(8-cyclopropylimidazo[1,5-a]pyridin-5-yl)ethynyl]-1-[(3S,5R)-5-(methoxymethyl)-1-prop-2-enoylpyrrolidin-3-yl]-5-(methylamino)pyrazole-4-carboxamide.

What is the SMILES notation for 3-[2-(8-cyclopropylimidazo[1,5-a]pyridin-5-yl)ethynyl]-1-[(3S,5R)-5-(methoxymethyl)-1-prop-2-enoylpyrrolidin-3-yl]-5-(methylamino)pyrazole-4-carboxamide?

The canonical SMILES for 3-[2-(8-cyclopropylimidazo[1,5-a]pyridin-5-yl)ethynyl]-1-[(3S,5R)-5-(methoxymethyl)-1-prop-2-enoylpyrrolidin-3-yl]-5-(methylamino)pyrazole-4-carboxamide is C=CC(=O)N1C[C@@H](n2nc(C#Cc3ccc(C4CC4)c4cncn34)c(C(N)=O)c2NC)C[C@@H]1COC.

What is the InChIKey of 3-[2-(8-cyclopropylimidazo[1,5-a]pyridin-5-yl)ethynyl]-1-[(3S,5R)-5-(methoxymethyl)-1-prop-2-enoylpyrrolidin-3-yl]-5-(methylamino)pyrazole-4-carboxamide?

The InChIKey is DIQGIBVJCGPVDA-RBUKOAKNSA-N. The full InChI is InChI=1S/C26H29N7O3/c1-4-23(34)31-13-18(11-19(31)14-36-3)33-26(28-2)24(25(27)35)21(30-33)10-8-17-7-9-20(16-5-6-16)22-12-29-15-32(17)22/h4,7,9,12,15-16,18-19,28H,1,5-6,11,13-14H2,2-3H3,(H2,27,35)/t18-,19+/m0/s1.

What are the key properties of 3-[2-(8-cyclopropylimidazo[1,5-a]pyridin-5-yl)ethynyl]-1-[(3S,5R)-5-(methoxymethyl)-1-prop-2-enoylpyrrolidin-3-yl]-5-(methylamino)pyrazole-4-carboxamide?

3-[2-(8-cyclopropylimidazo[1,5-a]pyridin-5-yl)ethynyl]-1-[(3S,5R)-5-(methoxymethyl)-1-prop-2-enoylpyrrolidin-3-yl]-5-(methylamino)pyrazole-4-carboxamide has a molecular weight of 487.56 g/mol, XLogP of 1.92, 7 rotatable bonds, 2 hydrogen bond donors, and 8 hydrogen bond acceptors.

Where does this data come from?

All data for 3-[2-(8-cyclopropylimidazo[1,5-a]pyridin-5-yl)ethynyl]-1-[(3S,5R)-5-(methoxymethyl)-1-prop-2-enoylpyrrolidin-3-yl]-5-(methylamino)pyrazole-4-carboxamide is sourced from PubChem (CID 168927830), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).