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

C29H31FN8O2 — CID 134436419

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

N-[1-[5-(3-cyano-6-ethoxypyrazolo[1,5-a]pyridin-4-yl)-2-pyridinyl]-4-[(dimethylamino)methyl]piperidin-4-yl]-3-fluoropyridine-2-carboxamide (PubChem CID 134436419) has the molecular formula C29H31FN8O2 and a molecular weight of 542.62 g/mol. Its IUPAC name is N-[1-[5-(3-cyano-6-ethoxypyrazolo[1,5-a]pyridin-4-yl)-2-pyridinyl]-4-[(dimethylamino)methyl]piperidin-4-yl]-3-fluoropyridine-2-carboxamide.

Molecular Properties

• Compound Name: N-[1-[5-(3-cyano-6-ethoxypyrazolo[1,5-a]pyridin-4-yl)-2-pyridinyl]-4-[(dimethylamino)methyl]piperidin-4-yl]-3-fluoropyridine-2-carboxamide
• PubChem CID: 134436419
• Molecular Formula: C29H31FN8O2
• Molecular Weight: 542.62 g/mol
• Exact Mass: 542.26
• IUPAC Name: N-[1-[5-(3-cyano-6-ethoxypyrazolo[1,5-a]pyridin-4-yl)-2-pyridinyl]-4-[(dimethylamino)methyl]piperidin-4-yl]-3-fluoropyridine-2-carboxamide
• SMILES: CCOc1cc(-c2ccc(N3CCC(CN(C)C)(NC(=O)c4ncccc4F)CC3)nc2)c2c(C#N)cnn2c1
• InChI: InChI=1S/C29H31FN8O2/c1-4-40-22-14-23(27-21(15-31)17-34-38(27)18-22)20-7-8-25(33-16-20)37-12-9-29(10-13-37,19-36(2)3)35-28(39)26-24(30)6-5-11-32-26/h5-8,11,14,16-18H,4,9-10,12-13,19H2,1-3H3,(H,35,39)
• InChIKey: STKMONCBUXZLAE-UHFFFAOYSA-N
• XLogP: 3.53
• TPSA: 111.68 Ų
• H-Bond Donors: 1
• H-Bond Acceptors: 9
• Rotatable Bonds: 8
• Heavy Atoms: 40
• Complexity: —

Lipinski Rule of Five

1 violation

Rule	Value
MW ≤ 500	542.62
LogP ≤ 5	3.53
H-Bond Donors ≤ 5	1
H-Bond Acceptors ≤ 10	9

Frequently Asked Questions

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

The IUPAC name of N-[1-[5-(3-cyano-6-ethoxypyrazolo[1,5-a]pyridin-4-yl)-2-pyridinyl]-4-[(dimethylamino)methyl]piperidin-4-yl]-3-fluoropyridine-2-carboxamide (CID 134436419) is N-[1-[5-(3-cyano-6-ethoxypyrazolo[1,5-a]pyridin-4-yl)-2-pyridinyl]-4-[(dimethylamino)methyl]piperidin-4-yl]-3-fluoropyridine-2-carboxamide.

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

The canonical SMILES for N-[1-[5-(3-cyano-6-ethoxypyrazolo[1,5-a]pyridin-4-yl)-2-pyridinyl]-4-[(dimethylamino)methyl]piperidin-4-yl]-3-fluoropyridine-2-carboxamide is CCOc1cc(-c2ccc(N3CCC(CN(C)C)(NC(=O)c4ncccc4F)CC3)nc2)c2c(C#N)cnn2c1.

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

The InChIKey is STKMONCBUXZLAE-UHFFFAOYSA-N. The full InChI is InChI=1S/C29H31FN8O2/c1-4-40-22-14-23(27-21(15-31)17-34-38(27)18-22)20-7-8-25(33-16-20)37-12-9-29(10-13-37,19-36(2)3)35-28(39)26-24(30)6-5-11-32-26/h5-8,11,14,16-18H,4,9-10,12-13,19H2,1-3H3,(H,35,39).

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

N-[1-[5-(3-cyano-6-ethoxypyrazolo[1,5-a]pyridin-4-yl)-2-pyridinyl]-4-[(dimethylamino)methyl]piperidin-4-yl]-3-fluoropyridine-2-carboxamide has a molecular weight of 542.62 g/mol, XLogP of 3.53, 8 rotatable bonds, 1 hydrogen bond donors, and 9 hydrogen bond acceptors.

Where does this data come from?

All data for N-[1-[5-(3-cyano-6-ethoxypyrazolo[1,5-a]pyridin-4-yl)-2-pyridinyl]-4-[(dimethylamino)methyl]piperidin-4-yl]-3-fluoropyridine-2-carboxamide is sourced from PubChem (CID 134436419), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).