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

C31H33ClN8O2 — CID 134434629

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

3-chloro-N-[1-[5-[3-cyano-6-(2-pyrrolidin-1-ylethoxy)pyrazolo[1,5-a]pyridin-4-yl]-2-pyridinyl]-4-methylpiperidin-4-yl]pyridine-2-carboxamide (PubChem CID 134434629) has the molecular formula C31H33ClN8O2 and a molecular weight of 585.11 g/mol. Its IUPAC name is 3-chloro-N-[1-[5-[3-cyano-6-(2-pyrrolidin-1-ylethoxy)pyrazolo[1,5-a]pyridin-4-yl]-2-pyridinyl]-4-methylpiperidin-4-yl]pyridine-2-carboxamide.

Molecular Properties

• Compound Name: 3-chloro-N-[1-[5-[3-cyano-6-(2-pyrrolidin-1-ylethoxy)pyrazolo[1,5-a]pyridin-4-yl]-2-pyridinyl]-4-methylpiperidin-4-yl]pyridine-2-carboxamide
• PubChem CID: 134434629
• Molecular Formula: C31H33ClN8O2
• Molecular Weight: 585.11 g/mol
• Exact Mass: 584.24
• IUPAC Name: 3-chloro-N-[1-[5-[3-cyano-6-(2-pyrrolidin-1-ylethoxy)pyrazolo[1,5-a]pyridin-4-yl]-2-pyridinyl]-4-methylpiperidin-4-yl]pyridine-2-carboxamide
• SMILES: CC1(NC(=O)c2ncccc2Cl)CCN(c2ccc(-c3cc(OCCN4CCCC4)cn4ncc(C#N)c34)cn2)CC1
• InChI: InChI=1S/C31H33ClN8O2/c1-31(37-30(41)28-26(32)5-4-10-34-28)8-13-39(14-9-31)27-7-6-22(19-35-27)25-17-24(42-16-15-38-11-2-3-12-38)21-40-29(25)23(18-33)20-36-40/h4-7,10,17,19-21H,2-3,8-9,11-16H2,1H3,(H,37,41)
• InChIKey: ATMMVNQFNYZGOF-UHFFFAOYSA-N
• XLogP: 4.58
• TPSA: 111.68 Ų
• H-Bond Donors: 1
• H-Bond Acceptors: 9
• Rotatable Bonds: 8
• Heavy Atoms: 42
• Complexity: —

Lipinski Rule of Five

1 violation

Rule	Value
MW ≤ 500	585.11
LogP ≤ 5	4.58
H-Bond Donors ≤ 5	1
H-Bond Acceptors ≤ 10	9

Frequently Asked Questions

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

The IUPAC name of 3-chloro-N-[1-[5-[3-cyano-6-(2-pyrrolidin-1-ylethoxy)pyrazolo[1,5-a]pyridin-4-yl]-2-pyridinyl]-4-methylpiperidin-4-yl]pyridine-2-carboxamide (CID 134434629) is 3-chloro-N-[1-[5-[3-cyano-6-(2-pyrrolidin-1-ylethoxy)pyrazolo[1,5-a]pyridin-4-yl]-2-pyridinyl]-4-methylpiperidin-4-yl]pyridine-2-carboxamide.

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

The canonical SMILES for 3-chloro-N-[1-[5-[3-cyano-6-(2-pyrrolidin-1-ylethoxy)pyrazolo[1,5-a]pyridin-4-yl]-2-pyridinyl]-4-methylpiperidin-4-yl]pyridine-2-carboxamide is CC1(NC(=O)c2ncccc2Cl)CCN(c2ccc(-c3cc(OCCN4CCCC4)cn4ncc(C#N)c34)cn2)CC1.

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

The InChIKey is ATMMVNQFNYZGOF-UHFFFAOYSA-N. The full InChI is InChI=1S/C31H33ClN8O2/c1-31(37-30(41)28-26(32)5-4-10-34-28)8-13-39(14-9-31)27-7-6-22(19-35-27)25-17-24(42-16-15-38-11-2-3-12-38)21-40-29(25)23(18-33)20-36-40/h4-7,10,17,19-21H,2-3,8-9,11-16H2,1H3,(H,37,41).

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

3-chloro-N-[1-[5-[3-cyano-6-(2-pyrrolidin-1-ylethoxy)pyrazolo[1,5-a]pyridin-4-yl]-2-pyridinyl]-4-methylpiperidin-4-yl]pyridine-2-carboxamide has a molecular weight of 585.11 g/mol, XLogP of 4.58, 8 rotatable bonds, 1 hydrogen bond donors, and 9 hydrogen bond acceptors.

Where does this data come from?

All data for 3-chloro-N-[1-[5-[3-cyano-6-(2-pyrrolidin-1-ylethoxy)pyrazolo[1,5-a]pyridin-4-yl]-2-pyridinyl]-4-methylpiperidin-4-yl]pyridine-2-carboxamide is sourced from PubChem (CID 134434629), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).