4-[6-[4-[2-(3-chloro-5-fluoro-2-pyridinyl)-2-oxoethyl]-4-[(4-ethylpiperazin-1-yl)methyl]piperidin-1-yl]-3-pyridinyl]-6-ethoxypyrazolo[1,5-a]pyridine-3-carbonitrile

C34H38ClFN8O2 — CID 147642564

About 4-[6-[4-[2-(3-chloro-5-fluoro-2-pyridinyl)-2-oxoethyl]-4-[(4-ethylpiperazin-1-yl)methyl]piperidin-1-yl]-3-pyridinyl]-6-ethoxypyrazolo[1,5-a]pyridine-3-carbonitrile

4-[6-[4-[2-(3-chloro-5-fluoro-2-pyridinyl)-2-oxoethyl]-4-[(4-ethylpiperazin-1-yl)methyl]piperidin-1-yl]-3-pyridinyl]-6-ethoxypyrazolo[1,5-a]pyridine-3-carbonitrile (PubChem CID 147642564) has the molecular formula C34H38ClFN8O2 and a molecular weight of 645.18 g/mol. Its IUPAC name is 4-[6-[4-[2-(3-chloro-5-fluoro-2-pyridinyl)-2-oxoethyl]-4-[(4-ethylpiperazin-1-yl)methyl]piperidin-1-yl]-3-pyridinyl]-6-ethoxypyrazolo[1,5-a]pyridine-3-carbonitrile.

Molecular Properties

• Compound Name: 4-[6-[4-[2-(3-chloro-5-fluoro-2-pyridinyl)-2-oxoethyl]-4-[(4-ethylpiperazin-1-yl)methyl]piperidin-1-yl]-3-pyridinyl]-6-ethoxypyrazolo[1,5-a]pyridine-3-carbonitrile
• PubChem CID: 147642564
• Molecular Formula: C34H38ClFN8O2
• Molecular Weight: 645.18 g/mol
• Exact Mass: 644.28
• IUPAC Name: 4-[6-[4-[2-(3-chloro-5-fluoro-2-pyridinyl)-2-oxoethyl]-4-[(4-ethylpiperazin-1-yl)methyl]piperidin-1-yl]-3-pyridinyl]-6-ethoxypyrazolo[1,5-a]pyridine-3-carbonitrile
• SMILES: CCOc1cc(-c2ccc(N3CCC(CC(=O)c4ncc(F)cc4Cl)(CN4CCN(CC)CC4)CC3)nc2)c2c(C#N)cnn2c1
• InChI: InChI=1S/C34H38ClFN8O2/c1-3-41-11-13-42(14-12-41)23-34(17-30(45)32-29(35)15-26(36)21-39-32)7-9-43(10-8-34)31-6-5-24(19-38-31)28-16-27(46-4-2)22-44-33(28)25(18-37)20-40-44/h5-6,15-16,19-22H,3-4,7-14,17,23H2,1-2H3
• InChIKey: GHXKDJQZXFUXHQ-UHFFFAOYSA-N
• XLogP: 5.35
• TPSA: 102.89 Ų
• H-Bond Acceptors: 10
• Rotatable Bonds: 10
• Heavy Atoms: 46
• Complexity: —

Lipinski Rule of Five

2 violations

Rule	Value
MW ≤ 500	645.18
LogP ≤ 5	5.35
H-Bond Donors ≤ 5	0
H-Bond Acceptors ≤ 10	10

Frequently Asked Questions

What is the IUPAC name of 4-[6-[4-[2-(3-chloro-5-fluoro-2-pyridinyl)-2-oxoethyl]-4-[(4-ethylpiperazin-1-yl)methyl]piperidin-1-yl]-3-pyridinyl]-6-ethoxypyrazolo[1,5-a]pyridine-3-carbonitrile?

The IUPAC name of 4-[6-[4-[2-(3-chloro-5-fluoro-2-pyridinyl)-2-oxoethyl]-4-[(4-ethylpiperazin-1-yl)methyl]piperidin-1-yl]-3-pyridinyl]-6-ethoxypyrazolo[1,5-a]pyridine-3-carbonitrile (CID 147642564) is 4-[6-[4-[2-(3-chloro-5-fluoro-2-pyridinyl)-2-oxoethyl]-4-[(4-ethylpiperazin-1-yl)methyl]piperidin-1-yl]-3-pyridinyl]-6-ethoxypyrazolo[1,5-a]pyridine-3-carbonitrile.

What is the SMILES notation for 4-[6-[4-[2-(3-chloro-5-fluoro-2-pyridinyl)-2-oxoethyl]-4-[(4-ethylpiperazin-1-yl)methyl]piperidin-1-yl]-3-pyridinyl]-6-ethoxypyrazolo[1,5-a]pyridine-3-carbonitrile?

The canonical SMILES for 4-[6-[4-[2-(3-chloro-5-fluoro-2-pyridinyl)-2-oxoethyl]-4-[(4-ethylpiperazin-1-yl)methyl]piperidin-1-yl]-3-pyridinyl]-6-ethoxypyrazolo[1,5-a]pyridine-3-carbonitrile is CCOc1cc(-c2ccc(N3CCC(CC(=O)c4ncc(F)cc4Cl)(CN4CCN(CC)CC4)CC3)nc2)c2c(C#N)cnn2c1.

What is the InChIKey of 4-[6-[4-[2-(3-chloro-5-fluoro-2-pyridinyl)-2-oxoethyl]-4-[(4-ethylpiperazin-1-yl)methyl]piperidin-1-yl]-3-pyridinyl]-6-ethoxypyrazolo[1,5-a]pyridine-3-carbonitrile?

The InChIKey is GHXKDJQZXFUXHQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C34H38ClFN8O2/c1-3-41-11-13-42(14-12-41)23-34(17-30(45)32-29(35)15-26(36)21-39-32)7-9-43(10-8-34)31-6-5-24(19-38-31)28-16-27(46-4-2)22-44-33(28)25(18-37)20-40-44/h5-6,15-16,19-22H,3-4,7-14,17,23H2,1-2H3.

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

4-[6-[4-[2-(3-chloro-5-fluoro-2-pyridinyl)-2-oxoethyl]-4-[(4-ethylpiperazin-1-yl)methyl]piperidin-1-yl]-3-pyridinyl]-6-ethoxypyrazolo[1,5-a]pyridine-3-carbonitrile has a molecular weight of 645.18 g/mol, XLogP of 5.35, 10 rotatable bonds, 0 hydrogen bond donors, and 10 hydrogen bond acceptors.

Where does this data come from?

All data for 4-[6-[4-[2-(3-chloro-5-fluoro-2-pyridinyl)-2-oxoethyl]-4-[(4-ethylpiperazin-1-yl)methyl]piperidin-1-yl]-3-pyridinyl]-6-ethoxypyrazolo[1,5-a]pyridine-3-carbonitrile is sourced from PubChem (CID 147642564), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).