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

C33H38ClN9O2 — CID 134436294

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

3-chloro-N-[1-[5-(3-cyano-6-ethoxypyrazolo[1,5-a]pyridin-4-yl)-2-pyridinyl]-4-[(4-ethylpiperazin-1-yl)methyl]piperidin-4-yl]pyridine-2-carboxamide (PubChem CID 134436294) has the molecular formula C33H38ClN9O2 and a molecular weight of 628.18 g/mol. Its IUPAC name is 3-chloro-N-[1-[5-(3-cyano-6-ethoxypyrazolo[1,5-a]pyridin-4-yl)-2-pyridinyl]-4-[(4-ethylpiperazin-1-yl)methyl]piperidin-4-yl]pyridine-2-carboxamide.

Molecular Properties

• Compound Name: 3-chloro-N-[1-[5-(3-cyano-6-ethoxypyrazolo[1,5-a]pyridin-4-yl)-2-pyridinyl]-4-[(4-ethylpiperazin-1-yl)methyl]piperidin-4-yl]pyridine-2-carboxamide
• PubChem CID: 134436294
• Molecular Formula: C33H38ClN9O2
• Molecular Weight: 628.18 g/mol
• Exact Mass: 627.28
• IUPAC Name: 3-chloro-N-[1-[5-(3-cyano-6-ethoxypyrazolo[1,5-a]pyridin-4-yl)-2-pyridinyl]-4-[(4-ethylpiperazin-1-yl)methyl]piperidin-4-yl]pyridine-2-carboxamide
• SMILES: CCOc1cc(-c2ccc(N3CCC(CN4CCN(CC)CC4)(NC(=O)c4ncccc4Cl)CC3)nc2)c2c(C#N)cnn2c1
• InChI: InChI=1S/C33H38ClN9O2/c1-3-40-14-16-41(17-15-40)23-33(39-32(44)30-28(34)6-5-11-36-30)9-12-42(13-10-33)29-8-7-24(20-37-29)27-18-26(45-4-2)22-43-31(27)25(19-35)21-38-43/h5-8,11,18,20-22H,3-4,9-10,12-17,23H2,1-2H3,(H,39,44)
• InChIKey: FSEKBSSQFRAZPN-UHFFFAOYSA-N
• XLogP: 4.12
• TPSA: 114.92 Ų
• H-Bond Donors: 1
• H-Bond Acceptors: 10
• Rotatable Bonds: 9
• Heavy Atoms: 45
• Complexity: —

Lipinski Rule of Five

1 violation

Rule	Value
MW ≤ 500	628.18
LogP ≤ 5	4.12
H-Bond Donors ≤ 5	1
H-Bond Acceptors ≤ 10	10

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]-4-[(4-ethylpiperazin-1-yl)methyl]piperidin-4-yl]pyridine-2-carboxamide?

The IUPAC name of 3-chloro-N-[1-[5-(3-cyano-6-ethoxypyrazolo[1,5-a]pyridin-4-yl)-2-pyridinyl]-4-[(4-ethylpiperazin-1-yl)methyl]piperidin-4-yl]pyridine-2-carboxamide (CID 134436294) is 3-chloro-N-[1-[5-(3-cyano-6-ethoxypyrazolo[1,5-a]pyridin-4-yl)-2-pyridinyl]-4-[(4-ethylpiperazin-1-yl)methyl]piperidin-4-yl]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]-4-[(4-ethylpiperazin-1-yl)methyl]piperidin-4-yl]pyridine-2-carboxamide?

The canonical SMILES for 3-chloro-N-[1-[5-(3-cyano-6-ethoxypyrazolo[1,5-a]pyridin-4-yl)-2-pyridinyl]-4-[(4-ethylpiperazin-1-yl)methyl]piperidin-4-yl]pyridine-2-carboxamide is CCOc1cc(-c2ccc(N3CCC(CN4CCN(CC)CC4)(NC(=O)c4ncccc4Cl)CC3)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]-4-[(4-ethylpiperazin-1-yl)methyl]piperidin-4-yl]pyridine-2-carboxamide?

The InChIKey is FSEKBSSQFRAZPN-UHFFFAOYSA-N. The full InChI is InChI=1S/C33H38ClN9O2/c1-3-40-14-16-41(17-15-40)23-33(39-32(44)30-28(34)6-5-11-36-30)9-12-42(13-10-33)29-8-7-24(20-37-29)27-18-26(45-4-2)22-43-31(27)25(19-35)21-38-43/h5-8,11,18,20-22H,3-4,9-10,12-17,23H2,1-2H3,(H,39,44).

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

3-chloro-N-[1-[5-(3-cyano-6-ethoxypyrazolo[1,5-a]pyridin-4-yl)-2-pyridinyl]-4-[(4-ethylpiperazin-1-yl)methyl]piperidin-4-yl]pyridine-2-carboxamide has a molecular weight of 628.18 g/mol, XLogP of 4.12, 9 rotatable bonds, 1 hydrogen bond donors, and 10 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]-4-[(4-ethylpiperazin-1-yl)methyl]piperidin-4-yl]pyridine-2-carboxamide is sourced from PubChem (CID 134436294), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).