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

C31H34FN7O2 — CID 134434741

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

N-[1-[5-(3-cyano-6-ethoxypyrazolo[1,5-a]pyridin-4-yl)-2-pyridinyl]-4-[(dimethylamino)methyl]piperidin-4-yl]-5-fluoro-2-methylbenzamide (PubChem CID 134434741) has the molecular formula C31H34FN7O2 and a molecular weight of 555.66 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]-5-fluoro-2-methylbenzamide.

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]-5-fluoro-2-methylbenzamide
• PubChem CID: 134434741
• Molecular Formula: C31H34FN7O2
• Molecular Weight: 555.66 g/mol
• Exact Mass: 555.28
• IUPAC Name: N-[1-[5-(3-cyano-6-ethoxypyrazolo[1,5-a]pyridin-4-yl)-2-pyridinyl]-4-[(dimethylamino)methyl]piperidin-4-yl]-5-fluoro-2-methylbenzamide
• SMILES: CCOc1cc(-c2ccc(N3CCC(CN(C)C)(NC(=O)c4cc(F)ccc4C)CC3)nc2)c2c(C#N)cnn2c1
• InChI: InChI=1S/C31H34FN7O2/c1-5-41-25-15-27(29-23(16-33)18-35-39(29)19-25)22-7-9-28(34-17-22)38-12-10-31(11-13-38,20-37(3)4)36-30(40)26-14-24(32)8-6-21(26)2/h6-9,14-15,17-19H,5,10-13,20H2,1-4H3,(H,36,40)
• InChIKey: IDGFPRZQGBCMGL-UHFFFAOYSA-N
• XLogP: 4.44
• TPSA: 98.79 Ų
• H-Bond Donors: 1
• H-Bond Acceptors: 8
• Rotatable Bonds: 8
• Heavy Atoms: 41
• Complexity: —

Lipinski Rule of Five

1 violation

Rule	Value
MW ≤ 500	555.66
LogP ≤ 5	4.44
H-Bond Donors ≤ 5	1
H-Bond Acceptors ≤ 10	8

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]-5-fluoro-2-methylbenzamide?

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]-5-fluoro-2-methylbenzamide (CID 134434741) is N-[1-[5-(3-cyano-6-ethoxypyrazolo[1,5-a]pyridin-4-yl)-2-pyridinyl]-4-[(dimethylamino)methyl]piperidin-4-yl]-5-fluoro-2-methylbenzamide.

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]-5-fluoro-2-methylbenzamide?

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]-5-fluoro-2-methylbenzamide is CCOc1cc(-c2ccc(N3CCC(CN(C)C)(NC(=O)c4cc(F)ccc4C)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]-5-fluoro-2-methylbenzamide?

The InChIKey is IDGFPRZQGBCMGL-UHFFFAOYSA-N. The full InChI is InChI=1S/C31H34FN7O2/c1-5-41-25-15-27(29-23(16-33)18-35-39(29)19-25)22-7-9-28(34-17-22)38-12-10-31(11-13-38,20-37(3)4)36-30(40)26-14-24(32)8-6-21(26)2/h6-9,14-15,17-19H,5,10-13,20H2,1-4H3,(H,36,40).

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]-5-fluoro-2-methylbenzamide?

N-[1-[5-(3-cyano-6-ethoxypyrazolo[1,5-a]pyridin-4-yl)-2-pyridinyl]-4-[(dimethylamino)methyl]piperidin-4-yl]-5-fluoro-2-methylbenzamide has a molecular weight of 555.66 g/mol, XLogP of 4.44, 8 rotatable bonds, 1 hydrogen bond donors, and 8 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]-5-fluoro-2-methylbenzamide is sourced from PubChem (CID 134434741), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).