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

C22H25FN6O2 — CID 59278181

IUPACN-[(1S)-1-(2-carbamoylpiperidin-4-yl)propyl]-1-(4-fluorophenyl)pyrazolo[5,4-c]pyridine-4-carboxamide
SMILESCC[C@H](NC(=O)c1cncc2c1cnn2-c1ccc(F)cc1)C1CCNC(C(N)=O)C1
InChIInChI=1S/C22H25FN6O2/c1-2-18(13-7-8-26-19(9-13)21(24)30)28-22(31)17-10-25-12-20-16(17)11-27-29(20)15-5-3-14(23)4-6-15/h3-6,10-13,18-19,26H,2,7-9H2,1H3,(H2,24,30)(H,28,31)/t13?,18-,19?/m0/s1
InChIKeyJWFJRNSBTDIDSM-SZSCYUJKSA-N
MW424.48 g/mol
LogP1.92
Rot. Bonds6

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

N-[(1S)-1-(2-carbamoylpiperidin-4-yl)propyl]-1-(4-fluorophenyl)pyrazolo[5,4-c]pyridine-4-carboxamide (PubChem CID 59278181) has the molecular formula C22H25FN6O2 and a molecular weight of 424.48 g/mol. Its IUPAC name is N-[(1S)-1-(2-carbamoylpiperidin-4-yl)propyl]-1-(4-fluorophenyl)pyrazolo[5,4-c]pyridine-4-carboxamide.

Molecular Properties

Compound NameN-[(1S)-1-(2-carbamoylpiperidin-4-yl)propyl]-1-(4-fluorophenyl)pyrazolo[5,4-c]pyridine-4-carboxamide
PubChem CID59278181
Molecular FormulaC22H25FN6O2
Molecular Weight424.48 g/mol
Exact Mass424.20
IUPAC NameN-[(1S)-1-(2-carbamoylpiperidin-4-yl)propyl]-1-(4-fluorophenyl)pyrazolo[5,4-c]pyridine-4-carboxamide
SMILESCC[C@H](NC(=O)c1cncc2c1cnn2-c1ccc(F)cc1)C1CCNC(C(N)=O)C1
InChIInChI=1S/C22H25FN6O2/c1-2-18(13-7-8-26-19(9-13)21(24)30)28-22(31)17-10-25-12-20-16(17)11-27-29(20)15-5-3-14(23)4-6-15/h3-6,10-13,18-19,26H,2,7-9H2,1H3,(H2,24,30)(H,28,31)/t13?,18-,19?/m0/s1
InChIKeyJWFJRNSBTDIDSM-SZSCYUJKSA-N
XLogP1.92
TPSA114.93 Ų
H-Bond Donors3
H-Bond Acceptors6
Rotatable Bonds6
Heavy Atoms31
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500424.48
LogP ≤ 51.92
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of N-[(1S)-1-(2-carbamoylpiperidin-4-yl)propyl]-1-(4-fluorophenyl)pyrazolo[5,4-c]pyridine-4-carboxamide?
The IUPAC name of N-[(1S)-1-(2-carbamoylpiperidin-4-yl)propyl]-1-(4-fluorophenyl)pyrazolo[5,4-c]pyridine-4-carboxamide (CID 59278181) is N-[(1S)-1-(2-carbamoylpiperidin-4-yl)propyl]-1-(4-fluorophenyl)pyrazolo[5,4-c]pyridine-4-carboxamide.
What is the SMILES notation for N-[(1S)-1-(2-carbamoylpiperidin-4-yl)propyl]-1-(4-fluorophenyl)pyrazolo[5,4-c]pyridine-4-carboxamide?
The canonical SMILES for N-[(1S)-1-(2-carbamoylpiperidin-4-yl)propyl]-1-(4-fluorophenyl)pyrazolo[5,4-c]pyridine-4-carboxamide is CC[C@H](NC(=O)c1cncc2c1cnn2-c1ccc(F)cc1)C1CCNC(C(N)=O)C1.
What is the InChIKey of N-[(1S)-1-(2-carbamoylpiperidin-4-yl)propyl]-1-(4-fluorophenyl)pyrazolo[5,4-c]pyridine-4-carboxamide?
The InChIKey is JWFJRNSBTDIDSM-SZSCYUJKSA-N. The full InChI is InChI=1S/C22H25FN6O2/c1-2-18(13-7-8-26-19(9-13)21(24)30)28-22(31)17-10-25-12-20-16(17)11-27-29(20)15-5-3-14(23)4-6-15/h3-6,10-13,18-19,26H,2,7-9H2,1H3,(H2,24,30)(H,28,31)/t13?,18-,19?/m0/s1.
What are the key properties of N-[(1S)-1-(2-carbamoylpiperidin-4-yl)propyl]-1-(4-fluorophenyl)pyrazolo[5,4-c]pyridine-4-carboxamide?
N-[(1S)-1-(2-carbamoylpiperidin-4-yl)propyl]-1-(4-fluorophenyl)pyrazolo[5,4-c]pyridine-4-carboxamide has a molecular weight of 424.48 g/mol, XLogP of 1.92, 6 rotatable bonds, 3 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(1S)-1-(2-carbamoylpiperidin-4-yl)propyl]-1-(4-fluorophenyl)pyrazolo[5,4-c]pyridine-4-carboxamide is sourced from PubChem (CID 59278181), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).