N-[1-[(3,4-difluorophenyl)methyl]pyrazol-4-yl]-5-[5-[(4-fluoropiperidin-1-yl)methyl]-1H-indol-2-yl]-6-oxo-1H-pyridine-3-carboxamide

C30H27F3N6O2 — CID 66854657

About N-[1-[(3,4-difluorophenyl)methyl]pyrazol-4-yl]-5-[5-[(4-fluoropiperidin-1-yl)methyl]-1H-indol-2-yl]-6-oxo-1H-pyridine-3-carboxamide

N-[1-[(3,4-difluorophenyl)methyl]pyrazol-4-yl]-5-[5-[(4-fluoropiperidin-1-yl)methyl]-1H-indol-2-yl]-6-oxo-1H-pyridine-3-carboxamide (PubChem CID 66854657) has the molecular formula C30H27F3N6O2 and a molecular weight of 560.58 g/mol. Its IUPAC name is N-[1-[(3,4-difluorophenyl)methyl]pyrazol-4-yl]-5-[5-[(4-fluoropiperidin-1-yl)methyl]-1H-indol-2-yl]-6-oxo-1H-pyridine-3-carboxamide.

Molecular Properties

• Compound Name: N-[1-[(3,4-difluorophenyl)methyl]pyrazol-4-yl]-5-[5-[(4-fluoropiperidin-1-yl)methyl]-1H-indol-2-yl]-6-oxo-1H-pyridine-3-carboxamide
• PubChem CID: 66854657
• Molecular Formula: C30H27F3N6O2
• Molecular Weight: 560.58 g/mol
• Exact Mass: 560.21
• IUPAC Name: N-[1-[(3,4-difluorophenyl)methyl]pyrazol-4-yl]-5-[5-[(4-fluoropiperidin-1-yl)methyl]-1H-indol-2-yl]-6-oxo-1H-pyridine-3-carboxamide
• SMILES: O=C(Nc1cnn(Cc2ccc(F)c(F)c2)c1)c1c[nH]c(=O)c(-c2cc3cc(CN4CCC(F)CC4)ccc3[nH]2)c1
• InChI: InChI=1S/C30H27F3N6O2/c31-22-5-7-38(8-6-22)15-18-2-4-27-20(9-18)12-28(37-27)24-11-21(13-34-30(24)41)29(40)36-23-14-35-39(17-23)16-19-1-3-25(32)26(33)10-19/h1-4,9-14,17,22,37H,5-8,15-16H2,(H,34,41)(H,36,40)
• InChIKey: WKPBDYDNMGPMOC-UHFFFAOYSA-N
• XLogP: 5.23
• TPSA: 98.81 Ų
• H-Bond Donors: 3
• H-Bond Acceptors: 5
• Rotatable Bonds: 7
• Heavy Atoms: 41
• Complexity: —

Lipinski Rule of Five

2 violations

Rule	Value
MW ≤ 500	560.58
LogP ≤ 5	5.23
H-Bond Donors ≤ 5	3
H-Bond Acceptors ≤ 10	5

Frequently Asked Questions

What is the IUPAC name of N-[1-[(3,4-difluorophenyl)methyl]pyrazol-4-yl]-5-[5-[(4-fluoropiperidin-1-yl)methyl]-1H-indol-2-yl]-6-oxo-1H-pyridine-3-carboxamide?

The IUPAC name of N-[1-[(3,4-difluorophenyl)methyl]pyrazol-4-yl]-5-[5-[(4-fluoropiperidin-1-yl)methyl]-1H-indol-2-yl]-6-oxo-1H-pyridine-3-carboxamide (CID 66854657) is N-[1-[(3,4-difluorophenyl)methyl]pyrazol-4-yl]-5-[5-[(4-fluoropiperidin-1-yl)methyl]-1H-indol-2-yl]-6-oxo-1H-pyridine-3-carboxamide.

What is the SMILES notation for N-[1-[(3,4-difluorophenyl)methyl]pyrazol-4-yl]-5-[5-[(4-fluoropiperidin-1-yl)methyl]-1H-indol-2-yl]-6-oxo-1H-pyridine-3-carboxamide?

The canonical SMILES for N-[1-[(3,4-difluorophenyl)methyl]pyrazol-4-yl]-5-[5-[(4-fluoropiperidin-1-yl)methyl]-1H-indol-2-yl]-6-oxo-1H-pyridine-3-carboxamide is O=C(Nc1cnn(Cc2ccc(F)c(F)c2)c1)c1c[nH]c(=O)c(-c2cc3cc(CN4CCC(F)CC4)ccc3[nH]2)c1.

What is the InChIKey of N-[1-[(3,4-difluorophenyl)methyl]pyrazol-4-yl]-5-[5-[(4-fluoropiperidin-1-yl)methyl]-1H-indol-2-yl]-6-oxo-1H-pyridine-3-carboxamide?

The InChIKey is WKPBDYDNMGPMOC-UHFFFAOYSA-N. The full InChI is InChI=1S/C30H27F3N6O2/c31-22-5-7-38(8-6-22)15-18-2-4-27-20(9-18)12-28(37-27)24-11-21(13-34-30(24)41)29(40)36-23-14-35-39(17-23)16-19-1-3-25(32)26(33)10-19/h1-4,9-14,17,22,37H,5-8,15-16H2,(H,34,41)(H,36,40).

What are the key properties of N-[1-[(3,4-difluorophenyl)methyl]pyrazol-4-yl]-5-[5-[(4-fluoropiperidin-1-yl)methyl]-1H-indol-2-yl]-6-oxo-1H-pyridine-3-carboxamide?

N-[1-[(3,4-difluorophenyl)methyl]pyrazol-4-yl]-5-[5-[(4-fluoropiperidin-1-yl)methyl]-1H-indol-2-yl]-6-oxo-1H-pyridine-3-carboxamide has a molecular weight of 560.58 g/mol, XLogP of 5.23, 7 rotatable bonds, 3 hydrogen bond donors, and 5 hydrogen bond acceptors.

Where does this data come from?

All data for N-[1-[(3,4-difluorophenyl)methyl]pyrazol-4-yl]-5-[5-[(4-fluoropiperidin-1-yl)methyl]-1H-indol-2-yl]-6-oxo-1H-pyridine-3-carboxamide is sourced from PubChem (CID 66854657), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).