N-[(1S)-1-(2-carbamoyl-1-phenacylpiperidin-4-yl)propyl]-1-(4-fluorophenyl)pyrazolo[5,4-c]pyridine-4-carboxamide

C30H31FN6O3 — CID 59278450

IUPACN-[(1S)-1-(2-carbamoyl-1-phenacylpiperidin-4-yl)propyl]-1-(4-fluorophenyl)pyrazolo[5,4-c]pyridine-4-carboxamide
SMILESCC[C@H](NC(=O)c1cncc2c1cnn2-c1ccc(F)cc1)C1CCN(CC(=O)c2ccccc2)C(C(N)=O)C1
InChIInChI=1S/C30H31FN6O3/c1-2-25(20-12-13-36(26(14-20)29(32)39)18-28(38)19-6-4-3-5-7-19)35-30(40)24-15-33-17-27-23(24)16-34-37(27)22-10-8-21(31)9-11-22/h3-11,15-17,20,25-26H,2,12-14,18H2,1H3,(H2,32,39)(H,35,40)/t20?,25-,26?/m0/s1
InChIKeyQWRIQEOLURHJEV-FQKSQLJCSA-N
MW542.62 g/mol
LogP3.52
Rot. Bonds9

About N-[(1S)-1-(2-carbamoyl-1-phenacylpiperidin-4-yl)propyl]-1-(4-fluorophenyl)pyrazolo[5,4-c]pyridine-4-carboxamide

N-[(1S)-1-(2-carbamoyl-1-phenacylpiperidin-4-yl)propyl]-1-(4-fluorophenyl)pyrazolo[5,4-c]pyridine-4-carboxamide (PubChem CID 59278450) has the molecular formula C30H31FN6O3 and a molecular weight of 542.62 g/mol. Its IUPAC name is N-[(1S)-1-(2-carbamoyl-1-phenacylpiperidin-4-yl)propyl]-1-(4-fluorophenyl)pyrazolo[5,4-c]pyridine-4-carboxamide.

Molecular Properties

Compound NameN-[(1S)-1-(2-carbamoyl-1-phenacylpiperidin-4-yl)propyl]-1-(4-fluorophenyl)pyrazolo[5,4-c]pyridine-4-carboxamide
PubChem CID59278450
Molecular FormulaC30H31FN6O3
Molecular Weight542.62 g/mol
Exact Mass542.24
IUPAC NameN-[(1S)-1-(2-carbamoyl-1-phenacylpiperidin-4-yl)propyl]-1-(4-fluorophenyl)pyrazolo[5,4-c]pyridine-4-carboxamide
SMILESCC[C@H](NC(=O)c1cncc2c1cnn2-c1ccc(F)cc1)C1CCN(CC(=O)c2ccccc2)C(C(N)=O)C1
InChIInChI=1S/C30H31FN6O3/c1-2-25(20-12-13-36(26(14-20)29(32)39)18-28(38)19-6-4-3-5-7-19)35-30(40)24-15-33-17-27-23(24)16-34-37(27)22-10-8-21(31)9-11-22/h3-11,15-17,20,25-26H,2,12-14,18H2,1H3,(H2,32,39)(H,35,40)/t20?,25-,26?/m0/s1
InChIKeyQWRIQEOLURHJEV-FQKSQLJCSA-N
XLogP3.52
TPSA123.21 Ų
H-Bond Donors2
H-Bond Acceptors7
Rotatable Bonds9
Heavy Atoms40
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500542.62
LogP ≤ 53.52
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 107

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Frequently Asked Questions

What is the IUPAC name of N-[(1S)-1-(2-carbamoyl-1-phenacylpiperidin-4-yl)propyl]-1-(4-fluorophenyl)pyrazolo[5,4-c]pyridine-4-carboxamide?
The IUPAC name of N-[(1S)-1-(2-carbamoyl-1-phenacylpiperidin-4-yl)propyl]-1-(4-fluorophenyl)pyrazolo[5,4-c]pyridine-4-carboxamide (CID 59278450) is N-[(1S)-1-(2-carbamoyl-1-phenacylpiperidin-4-yl)propyl]-1-(4-fluorophenyl)pyrazolo[5,4-c]pyridine-4-carboxamide.
What is the SMILES notation for N-[(1S)-1-(2-carbamoyl-1-phenacylpiperidin-4-yl)propyl]-1-(4-fluorophenyl)pyrazolo[5,4-c]pyridine-4-carboxamide?
The canonical SMILES for N-[(1S)-1-(2-carbamoyl-1-phenacylpiperidin-4-yl)propyl]-1-(4-fluorophenyl)pyrazolo[5,4-c]pyridine-4-carboxamide is CC[C@H](NC(=O)c1cncc2c1cnn2-c1ccc(F)cc1)C1CCN(CC(=O)c2ccccc2)C(C(N)=O)C1.
What is the InChIKey of N-[(1S)-1-(2-carbamoyl-1-phenacylpiperidin-4-yl)propyl]-1-(4-fluorophenyl)pyrazolo[5,4-c]pyridine-4-carboxamide?
The InChIKey is QWRIQEOLURHJEV-FQKSQLJCSA-N. The full InChI is InChI=1S/C30H31FN6O3/c1-2-25(20-12-13-36(26(14-20)29(32)39)18-28(38)19-6-4-3-5-7-19)35-30(40)24-15-33-17-27-23(24)16-34-37(27)22-10-8-21(31)9-11-22/h3-11,15-17,20,25-26H,2,12-14,18H2,1H3,(H2,32,39)(H,35,40)/t20?,25-,26?/m0/s1.
What are the key properties of N-[(1S)-1-(2-carbamoyl-1-phenacylpiperidin-4-yl)propyl]-1-(4-fluorophenyl)pyrazolo[5,4-c]pyridine-4-carboxamide?
N-[(1S)-1-(2-carbamoyl-1-phenacylpiperidin-4-yl)propyl]-1-(4-fluorophenyl)pyrazolo[5,4-c]pyridine-4-carboxamide has a molecular weight of 542.62 g/mol, XLogP of 3.52, 9 rotatable bonds, 2 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(1S)-1-(2-carbamoyl-1-phenacylpiperidin-4-yl)propyl]-1-(4-fluorophenyl)pyrazolo[5,4-c]pyridine-4-carboxamide is sourced from PubChem (CID 59278450), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).