3-chloro-N-[[1-[5-(3-cyano-6-ethoxypyrazolo[1,5-a]pyridin-4-yl)-2-pyridinyl]pyrrolidin-3-yl]methyl]pyridine-2-carboxamide

C26H24ClN7O2 — CID 134497168

About 3-chloro-N-[[1-[5-(3-cyano-6-ethoxypyrazolo[1,5-a]pyridin-4-yl)-2-pyridinyl]pyrrolidin-3-yl]methyl]pyridine-2-carboxamide

3-chloro-N-[[1-[5-(3-cyano-6-ethoxypyrazolo[1,5-a]pyridin-4-yl)-2-pyridinyl]pyrrolidin-3-yl]methyl]pyridine-2-carboxamide (PubChem CID 134497168) has the molecular formula C26H24ClN7O2 and a molecular weight of 501.98 g/mol. Its IUPAC name is 3-chloro-N-[[1-[5-(3-cyano-6-ethoxypyrazolo[1,5-a]pyridin-4-yl)-2-pyridinyl]pyrrolidin-3-yl]methyl]pyridine-2-carboxamide.

Molecular Properties

• Compound Name: 3-chloro-N-[[1-[5-(3-cyano-6-ethoxypyrazolo[1,5-a]pyridin-4-yl)-2-pyridinyl]pyrrolidin-3-yl]methyl]pyridine-2-carboxamide
• PubChem CID: 134497168
• Molecular Formula: C26H24ClN7O2
• Molecular Weight: 501.98 g/mol
• Exact Mass: 501.17
• IUPAC Name: 3-chloro-N-[[1-[5-(3-cyano-6-ethoxypyrazolo[1,5-a]pyridin-4-yl)-2-pyridinyl]pyrrolidin-3-yl]methyl]pyridine-2-carboxamide
• SMILES: CCOc1cc(-c2ccc(N3CCC(CNC(=O)c4ncccc4Cl)C3)nc2)c2c(C#N)cnn2c1
• InChI: InChI=1S/C26H24ClN7O2/c1-2-36-20-10-21(25-19(11-28)14-32-34(25)16-20)18-5-6-23(30-13-18)33-9-7-17(15-33)12-31-26(35)24-22(27)4-3-8-29-24/h3-6,8,10,13-14,16-17H,2,7,9,12,15H2,1H3,(H,31,35)
• InChIKey: BVTSWQPGYMYHKR-UHFFFAOYSA-N
• XLogP: 3.97
• TPSA: 108.44 Ų
• H-Bond Donors: 1
• H-Bond Acceptors: 8
• Rotatable Bonds: 7
• Heavy Atoms: 36
• Complexity: —

Lipinski Rule of Five

1 violation

Rule	Value
MW ≤ 500	501.98
LogP ≤ 5	3.97
H-Bond Donors ≤ 5	1
H-Bond Acceptors ≤ 10	8

Frequently Asked Questions

What is the IUPAC name of 3-chloro-N-[[1-[5-(3-cyano-6-ethoxypyrazolo[1,5-a]pyridin-4-yl)-2-pyridinyl]pyrrolidin-3-yl]methyl]pyridine-2-carboxamide?

The IUPAC name of 3-chloro-N-[[1-[5-(3-cyano-6-ethoxypyrazolo[1,5-a]pyridin-4-yl)-2-pyridinyl]pyrrolidin-3-yl]methyl]pyridine-2-carboxamide (CID 134497168) is 3-chloro-N-[[1-[5-(3-cyano-6-ethoxypyrazolo[1,5-a]pyridin-4-yl)-2-pyridinyl]pyrrolidin-3-yl]methyl]pyridine-2-carboxamide.

What is the SMILES notation for 3-chloro-N-[[1-[5-(3-cyano-6-ethoxypyrazolo[1,5-a]pyridin-4-yl)-2-pyridinyl]pyrrolidin-3-yl]methyl]pyridine-2-carboxamide?

The canonical SMILES for 3-chloro-N-[[1-[5-(3-cyano-6-ethoxypyrazolo[1,5-a]pyridin-4-yl)-2-pyridinyl]pyrrolidin-3-yl]methyl]pyridine-2-carboxamide is CCOc1cc(-c2ccc(N3CCC(CNC(=O)c4ncccc4Cl)C3)nc2)c2c(C#N)cnn2c1.

What is the InChIKey of 3-chloro-N-[[1-[5-(3-cyano-6-ethoxypyrazolo[1,5-a]pyridin-4-yl)-2-pyridinyl]pyrrolidin-3-yl]methyl]pyridine-2-carboxamide?

The InChIKey is BVTSWQPGYMYHKR-UHFFFAOYSA-N. The full InChI is InChI=1S/C26H24ClN7O2/c1-2-36-20-10-21(25-19(11-28)14-32-34(25)16-20)18-5-6-23(30-13-18)33-9-7-17(15-33)12-31-26(35)24-22(27)4-3-8-29-24/h3-6,8,10,13-14,16-17H,2,7,9,12,15H2,1H3,(H,31,35).

What are the key properties of 3-chloro-N-[[1-[5-(3-cyano-6-ethoxypyrazolo[1,5-a]pyridin-4-yl)-2-pyridinyl]pyrrolidin-3-yl]methyl]pyridine-2-carboxamide?

3-chloro-N-[[1-[5-(3-cyano-6-ethoxypyrazolo[1,5-a]pyridin-4-yl)-2-pyridinyl]pyrrolidin-3-yl]methyl]pyridine-2-carboxamide has a molecular weight of 501.98 g/mol, XLogP of 3.97, 7 rotatable bonds, 1 hydrogen bond donors, and 8 hydrogen bond acceptors.

Where does this data come from?

All data for 3-chloro-N-[[1-[5-(3-cyano-6-ethoxypyrazolo[1,5-a]pyridin-4-yl)-2-pyridinyl]pyrrolidin-3-yl]methyl]pyridine-2-carboxamide is sourced from PubChem (CID 134497168), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).