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

C27H26ClN7O2 — CID 146322566

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

3-chloro-N-[2-[1-[5-(3-cyano-6-ethoxypyrazolo[1,5-a]pyridin-4-yl)-2-pyridinyl]pyrrolidin-3-yl]ethyl]pyridine-2-carboxamide (PubChem CID 146322566) has the molecular formula C27H26ClN7O2 and a molecular weight of 516.01 g/mol. Its IUPAC name is 3-chloro-N-[2-[1-[5-(3-cyano-6-ethoxypyrazolo[1,5-a]pyridin-4-yl)-2-pyridinyl]pyrrolidin-3-yl]ethyl]pyridine-2-carboxamide.

Molecular Properties

• Compound Name: 3-chloro-N-[2-[1-[5-(3-cyano-6-ethoxypyrazolo[1,5-a]pyridin-4-yl)-2-pyridinyl]pyrrolidin-3-yl]ethyl]pyridine-2-carboxamide
• PubChem CID: 146322566
• Molecular Formula: C27H26ClN7O2
• Molecular Weight: 516.01 g/mol
• Exact Mass: 515.18
• IUPAC Name: 3-chloro-N-[2-[1-[5-(3-cyano-6-ethoxypyrazolo[1,5-a]pyridin-4-yl)-2-pyridinyl]pyrrolidin-3-yl]ethyl]pyridine-2-carboxamide
• SMILES: CCOc1cc(-c2ccc(N3CCC(CCNC(=O)c4ncccc4Cl)C3)nc2)c2c(C#N)cnn2c1
• InChI: InChI=1S/C27H26ClN7O2/c1-2-37-21-12-22(26-20(13-29)15-33-35(26)17-21)19-5-6-24(32-14-19)34-11-8-18(16-34)7-10-31-27(36)25-23(28)4-3-9-30-25/h3-6,9,12,14-15,17-18H,2,7-8,10-11,16H2,1H3,(H,31,36)
• InChIKey: ABRXNJKRZHKQDT-UHFFFAOYSA-N
• XLogP: 4.36
• TPSA: 108.44 Ų
• H-Bond Donors: 1
• H-Bond Acceptors: 8
• Rotatable Bonds: 8
• Heavy Atoms: 37
• Complexity: —

Lipinski Rule of Five

1 violation

Rule	Value
MW ≤ 500	516.01
LogP ≤ 5	4.36
H-Bond Donors ≤ 5	1
H-Bond Acceptors ≤ 10	8

Frequently Asked Questions

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

The IUPAC name of 3-chloro-N-[2-[1-[5-(3-cyano-6-ethoxypyrazolo[1,5-a]pyridin-4-yl)-2-pyridinyl]pyrrolidin-3-yl]ethyl]pyridine-2-carboxamide (CID 146322566) is 3-chloro-N-[2-[1-[5-(3-cyano-6-ethoxypyrazolo[1,5-a]pyridin-4-yl)-2-pyridinyl]pyrrolidin-3-yl]ethyl]pyridine-2-carboxamide.

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

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

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

The InChIKey is ABRXNJKRZHKQDT-UHFFFAOYSA-N. The full InChI is InChI=1S/C27H26ClN7O2/c1-2-37-21-12-22(26-20(13-29)15-33-35(26)17-21)19-5-6-24(32-14-19)34-11-8-18(16-34)7-10-31-27(36)25-23(28)4-3-9-30-25/h3-6,9,12,14-15,17-18H,2,7-8,10-11,16H2,1H3,(H,31,36).

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

3-chloro-N-[2-[1-[5-(3-cyano-6-ethoxypyrazolo[1,5-a]pyridin-4-yl)-2-pyridinyl]pyrrolidin-3-yl]ethyl]pyridine-2-carboxamide has a molecular weight of 516.01 g/mol, XLogP of 4.36, 8 rotatable bonds, 1 hydrogen bond donors, and 8 hydrogen bond acceptors.

Where does this data come from?

All data for 3-chloro-N-[2-[1-[5-(3-cyano-6-ethoxypyrazolo[1,5-a]pyridin-4-yl)-2-pyridinyl]pyrrolidin-3-yl]ethyl]pyridine-2-carboxamide is sourced from PubChem (CID 146322566), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).