N-[(7-chloro-8-fluoroimidazo[1,5-a]pyridin-1-yl)methyl]-1-[[6-cyclopropyl-8-(oxetan-3-yl)imidazo[1,2-a]pyridin-2-yl]methyl]pyrazole-4-carboxamide

C26H23ClFN7O2 — CID 139488057

About N-[(7-chloro-8-fluoroimidazo[1,5-a]pyridin-1-yl)methyl]-1-[[6-cyclopropyl-8-(oxetan-3-yl)imidazo[1,2-a]pyridin-2-yl]methyl]pyrazole-4-carboxamide

N-[(7-chloro-8-fluoroimidazo[1,5-a]pyridin-1-yl)methyl]-1-[[6-cyclopropyl-8-(oxetan-3-yl)imidazo[1,2-a]pyridin-2-yl]methyl]pyrazole-4-carboxamide (PubChem CID 139488057) has the molecular formula C26H23ClFN7O2 and a molecular weight of 519.97 g/mol. Its IUPAC name is N-[(7-chloro-8-fluoroimidazo[1,5-a]pyridin-1-yl)methyl]-1-[[6-cyclopropyl-8-(oxetan-3-yl)imidazo[1,2-a]pyridin-2-yl]methyl]pyrazole-4-carboxamide.

Molecular Properties

• Compound Name: N-[(7-chloro-8-fluoroimidazo[1,5-a]pyridin-1-yl)methyl]-1-[[6-cyclopropyl-8-(oxetan-3-yl)imidazo[1,2-a]pyridin-2-yl]methyl]pyrazole-4-carboxamide
• PubChem CID: 139488057
• Molecular Formula: C26H23ClFN7O2
• Molecular Weight: 519.97 g/mol
• Exact Mass: 519.16
• IUPAC Name: N-[(7-chloro-8-fluoroimidazo[1,5-a]pyridin-1-yl)methyl]-1-[[6-cyclopropyl-8-(oxetan-3-yl)imidazo[1,2-a]pyridin-2-yl]methyl]pyrazole-4-carboxamide
• SMILES: O=C(NCc1ncn2ccc(Cl)c(F)c12)c1cnn(Cc2cn3cc(C4CC4)cc(C4COC4)c3n2)c1
• InChI: InChI=1S/C26H23ClFN7O2/c27-21-3-4-33-14-30-22(24(33)23(21)28)7-29-26(36)17-6-31-35(9-17)11-19-10-34-8-16(15-1-2-15)5-20(25(34)32-19)18-12-37-13-18/h3-6,8-10,14-15,18H,1-2,7,11-13H2,(H,29,36)
• InChIKey: GRVCFXZFAOPZNJ-UHFFFAOYSA-N
• XLogP: 3.94
• TPSA: 90.75 Ų
• H-Bond Donors: 1
• H-Bond Acceptors: 8
• Rotatable Bonds: 7
• Heavy Atoms: 37
• Complexity: —

Lipinski Rule of Five

1 violation

Rule	Value
MW ≤ 500	519.97
LogP ≤ 5	3.94
H-Bond Donors ≤ 5	1
H-Bond Acceptors ≤ 10	8

Frequently Asked Questions

What is the IUPAC name of N-[(7-chloro-8-fluoroimidazo[1,5-a]pyridin-1-yl)methyl]-1-[[6-cyclopropyl-8-(oxetan-3-yl)imidazo[1,2-a]pyridin-2-yl]methyl]pyrazole-4-carboxamide?

The IUPAC name of N-[(7-chloro-8-fluoroimidazo[1,5-a]pyridin-1-yl)methyl]-1-[[6-cyclopropyl-8-(oxetan-3-yl)imidazo[1,2-a]pyridin-2-yl]methyl]pyrazole-4-carboxamide (CID 139488057) is N-[(7-chloro-8-fluoroimidazo[1,5-a]pyridin-1-yl)methyl]-1-[[6-cyclopropyl-8-(oxetan-3-yl)imidazo[1,2-a]pyridin-2-yl]methyl]pyrazole-4-carboxamide.

What is the SMILES notation for N-[(7-chloro-8-fluoroimidazo[1,5-a]pyridin-1-yl)methyl]-1-[[6-cyclopropyl-8-(oxetan-3-yl)imidazo[1,2-a]pyridin-2-yl]methyl]pyrazole-4-carboxamide?

The canonical SMILES for N-[(7-chloro-8-fluoroimidazo[1,5-a]pyridin-1-yl)methyl]-1-[[6-cyclopropyl-8-(oxetan-3-yl)imidazo[1,2-a]pyridin-2-yl]methyl]pyrazole-4-carboxamide is O=C(NCc1ncn2ccc(Cl)c(F)c12)c1cnn(Cc2cn3cc(C4CC4)cc(C4COC4)c3n2)c1.

What is the InChIKey of N-[(7-chloro-8-fluoroimidazo[1,5-a]pyridin-1-yl)methyl]-1-[[6-cyclopropyl-8-(oxetan-3-yl)imidazo[1,2-a]pyridin-2-yl]methyl]pyrazole-4-carboxamide?

The InChIKey is GRVCFXZFAOPZNJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C26H23ClFN7O2/c27-21-3-4-33-14-30-22(24(33)23(21)28)7-29-26(36)17-6-31-35(9-17)11-19-10-34-8-16(15-1-2-15)5-20(25(34)32-19)18-12-37-13-18/h3-6,8-10,14-15,18H,1-2,7,11-13H2,(H,29,36).

What are the key properties of N-[(7-chloro-8-fluoroimidazo[1,5-a]pyridin-1-yl)methyl]-1-[[6-cyclopropyl-8-(oxetan-3-yl)imidazo[1,2-a]pyridin-2-yl]methyl]pyrazole-4-carboxamide?

N-[(7-chloro-8-fluoroimidazo[1,5-a]pyridin-1-yl)methyl]-1-[[6-cyclopropyl-8-(oxetan-3-yl)imidazo[1,2-a]pyridin-2-yl]methyl]pyrazole-4-carboxamide has a molecular weight of 519.97 g/mol, XLogP of 3.94, 7 rotatable bonds, 1 hydrogen bond donors, and 8 hydrogen bond acceptors.

Where does this data come from?

All data for N-[(7-chloro-8-fluoroimidazo[1,5-a]pyridin-1-yl)methyl]-1-[[6-cyclopropyl-8-(oxetan-3-yl)imidazo[1,2-a]pyridin-2-yl]methyl]pyrazole-4-carboxamide is sourced from PubChem (CID 139488057), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).