4-[[7-[[2-(5-chloro-2-fluorophenyl)-4-pyridinyl]amino]pyrazolo[4,3-b]pyridin-2-yl]methyl]-N-ethylpiperidine-1-carboxamide

C26H27ClFN7O — CID 54671257

About 4-[[7-[[2-(5-chloro-2-fluorophenyl)-4-pyridinyl]amino]pyrazolo[4,3-b]pyridin-2-yl]methyl]-N-ethylpiperidine-1-carboxamide

4-[[7-[[2-(5-chloro-2-fluorophenyl)-4-pyridinyl]amino]pyrazolo[4,3-b]pyridin-2-yl]methyl]-N-ethylpiperidine-1-carboxamide (PubChem CID 54671257) has the molecular formula C26H27ClFN7O and a molecular weight of 508.00 g/mol. Its IUPAC name is 4-[[7-[[2-(5-chloro-2-fluorophenyl)-4-pyridinyl]amino]pyrazolo[4,3-b]pyridin-2-yl]methyl]-N-ethylpiperidine-1-carboxamide.

Molecular Properties

• Compound Name: 4-[[7-[[2-(5-chloro-2-fluorophenyl)-4-pyridinyl]amino]pyrazolo[4,3-b]pyridin-2-yl]methyl]-N-ethylpiperidine-1-carboxamide
• PubChem CID: 54671257
• Molecular Formula: C26H27ClFN7O
• Molecular Weight: 508.00 g/mol
• Exact Mass: 507.19
• IUPAC Name: 4-[[7-[[2-(5-chloro-2-fluorophenyl)-4-pyridinyl]amino]pyrazolo[4,3-b]pyridin-2-yl]methyl]-N-ethylpiperidine-1-carboxamide
• SMILES: CCNC(=O)N1CCC(Cn2cc3nccc(Nc4ccnc(-c5cc(Cl)ccc5F)c4)c3n2)CC1
• InChI: InChI=1S/C26H27ClFN7O/c1-2-29-26(36)34-11-7-17(8-12-34)15-35-16-24-25(33-35)22(6-10-31-24)32-19-5-9-30-23(14-19)20-13-18(27)3-4-21(20)28/h3-6,9-10,13-14,16-17H,2,7-8,11-12,15H2,1H3,(H,29,36)(H,30,32)
• InChIKey: VSHUZNPJINHGAA-UHFFFAOYSA-N
• XLogP: 5.47
• TPSA: 87.97 Ų
• H-Bond Donors: 2
• H-Bond Acceptors: 6
• Rotatable Bonds: 6
• Heavy Atoms: 36
• Complexity: —

Lipinski Rule of Five

2 violations

Rule	Value
MW ≤ 500	508.00
LogP ≤ 5	5.47
H-Bond Donors ≤ 5	2
H-Bond Acceptors ≤ 10	6

Frequently Asked Questions

What is the IUPAC name of 4-[[7-[[2-(5-chloro-2-fluorophenyl)-4-pyridinyl]amino]pyrazolo[4,3-b]pyridin-2-yl]methyl]-N-ethylpiperidine-1-carboxamide?

The IUPAC name of 4-[[7-[[2-(5-chloro-2-fluorophenyl)-4-pyridinyl]amino]pyrazolo[4,3-b]pyridin-2-yl]methyl]-N-ethylpiperidine-1-carboxamide (CID 54671257) is 4-[[7-[[2-(5-chloro-2-fluorophenyl)-4-pyridinyl]amino]pyrazolo[4,3-b]pyridin-2-yl]methyl]-N-ethylpiperidine-1-carboxamide.

What is the SMILES notation for 4-[[7-[[2-(5-chloro-2-fluorophenyl)-4-pyridinyl]amino]pyrazolo[4,3-b]pyridin-2-yl]methyl]-N-ethylpiperidine-1-carboxamide?

The canonical SMILES for 4-[[7-[[2-(5-chloro-2-fluorophenyl)-4-pyridinyl]amino]pyrazolo[4,3-b]pyridin-2-yl]methyl]-N-ethylpiperidine-1-carboxamide is CCNC(=O)N1CCC(Cn2cc3nccc(Nc4ccnc(-c5cc(Cl)ccc5F)c4)c3n2)CC1.

What is the InChIKey of 4-[[7-[[2-(5-chloro-2-fluorophenyl)-4-pyridinyl]amino]pyrazolo[4,3-b]pyridin-2-yl]methyl]-N-ethylpiperidine-1-carboxamide?

The InChIKey is VSHUZNPJINHGAA-UHFFFAOYSA-N. The full InChI is InChI=1S/C26H27ClFN7O/c1-2-29-26(36)34-11-7-17(8-12-34)15-35-16-24-25(33-35)22(6-10-31-24)32-19-5-9-30-23(14-19)20-13-18(27)3-4-21(20)28/h3-6,9-10,13-14,16-17H,2,7-8,11-12,15H2,1H3,(H,29,36)(H,30,32).

What are the key properties of 4-[[7-[[2-(5-chloro-2-fluorophenyl)-4-pyridinyl]amino]pyrazolo[4,3-b]pyridin-2-yl]methyl]-N-ethylpiperidine-1-carboxamide?

4-[[7-[[2-(5-chloro-2-fluorophenyl)-4-pyridinyl]amino]pyrazolo[4,3-b]pyridin-2-yl]methyl]-N-ethylpiperidine-1-carboxamide has a molecular weight of 508.00 g/mol, XLogP of 5.47, 6 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.

Where does this data come from?

All data for 4-[[7-[[2-(5-chloro-2-fluorophenyl)-4-pyridinyl]amino]pyrazolo[4,3-b]pyridin-2-yl]methyl]-N-ethylpiperidine-1-carboxamide is sourced from PubChem (CID 54671257), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).