1-[1-benzyl-4-(cyanomethyl)piperidin-4-yl]-3-[(2-fluoro-4-pyridinyl)amino]pyrazole-4-carboxamide

C23H24FN7O — CID 89462380

IUPAC1-[1-benzyl-4-(cyanomethyl)piperidin-4-yl]-3-[(2-fluoro-4-pyridinyl)amino]pyrazole-4-carboxamide
SMILESN#CCC1(n2cc(C(N)=O)c(Nc3ccnc(F)c3)n2)CCN(Cc2ccccc2)CC1
InChIInChI=1S/C23H24FN7O/c24-20-14-18(6-11-27-20)28-22-19(21(26)32)16-31(29-22)23(7-10-25)8-12-30(13-9-23)15-17-4-2-1-3-5-17/h1-6,11,14,16H,7-9,12-13,15H2,(H2,26,32)(H,27,28,29)
InChIKeyRVTCNVYHXAOTAQ-UHFFFAOYSA-N
MW433.49 g/mol
LogP3.16
Rot. Bonds7

About 1-[1-benzyl-4-(cyanomethyl)piperidin-4-yl]-3-[(2-fluoro-4-pyridinyl)amino]pyrazole-4-carboxamide

1-[1-benzyl-4-(cyanomethyl)piperidin-4-yl]-3-[(2-fluoro-4-pyridinyl)amino]pyrazole-4-carboxamide (PubChem CID 89462380) has the molecular formula C23H24FN7O and a molecular weight of 433.49 g/mol. Its IUPAC name is 1-[1-benzyl-4-(cyanomethyl)piperidin-4-yl]-3-[(2-fluoro-4-pyridinyl)amino]pyrazole-4-carboxamide.

Molecular Properties

Compound Name1-[1-benzyl-4-(cyanomethyl)piperidin-4-yl]-3-[(2-fluoro-4-pyridinyl)amino]pyrazole-4-carboxamide
PubChem CID89462380
Molecular FormulaC23H24FN7O
Molecular Weight433.49 g/mol
Exact Mass433.20
IUPAC Name1-[1-benzyl-4-(cyanomethyl)piperidin-4-yl]-3-[(2-fluoro-4-pyridinyl)amino]pyrazole-4-carboxamide
SMILESN#CCC1(n2cc(C(N)=O)c(Nc3ccnc(F)c3)n2)CCN(Cc2ccccc2)CC1
InChIInChI=1S/C23H24FN7O/c24-20-14-18(6-11-27-20)28-22-19(21(26)32)16-31(29-22)23(7-10-25)8-12-30(13-9-23)15-17-4-2-1-3-5-17/h1-6,11,14,16H,7-9,12-13,15H2,(H2,26,32)(H,27,28,29)
InChIKeyRVTCNVYHXAOTAQ-UHFFFAOYSA-N
XLogP3.16
TPSA112.86 Ų
H-Bond Donors2
H-Bond Acceptors7
Rotatable Bonds7
Heavy Atoms32
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500433.49
LogP ≤ 53.16
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 107

Computed Properties (RDKit)

Structural Alerts{'alert_name': '2-halo_pyridine', 'substructure': 'N/A'}

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Related Compounds

1-[(3R,4S)-4-cyanooxan-3-yl]-3-[(2-fluoro-4-pyridinyl)amino]pyrazole-4-carboxamide
CID 89470690
8-[4-[2-[(4-Fluorophenyl)methyl-Methyl-Amino]ethyl]pyrazol-1-Yl]-3~{h}-Pyrido[3,4-D]pyrimidin-4-One
CID 135567108
1-[(3R,4S)-4-cyanooxan-3-yl]-3-[[2-(dimethylamino)-6-fluoro-4-pyridinyl]amino]pyrazole-4-carboxamide
CID 137654900
N-(2,4-difluorophenyl)-6-(1H-pyrazol-1-yl)nicotinamide
CID 3567091
1-(6((1-(3-fluoropyridin-2-yl)cyclobutyl)methylamino)pyridazin-3-yl)-1H-pyrrole-3-carboxamide
CID 67451928
3-anilino-1-[(1S,2S)-2-cyanocyclohexyl]pyrazole-4-carboxamide
CID 89471082
1-[3-(3-methylanilino)-1-(pyridin-2-ylmethyl)-6,7-dihydro-4H-pyrazolo[4,3-c]pyridin-5-yl]ethanone
CID 121372875
1-[3-(3-methylanilino)-1-(pyridin-3-ylmethyl)-6,7-dihydro-4H-pyrazolo[4,3-c]pyridin-5-yl]ethanone
CID 121372877
1-[3-(3-methylanilino)-1-(pyridin-4-ylmethyl)-6,7-dihydro-4H-pyrazolo[4,3-c]pyridin-5-yl]ethanone
CID 121372884
5-[(2R)-2-(2,5-difluorophenyl)pyrrolidin-1-yl]-N-pyridin-2-ylpyrazolo[1,5-a]pyrimidine-3-carboxamide
CID 49869799
3-amino-N-[5-[(3S)-3-aminopiperidin-1-yl]-1-methylpyrazol-4-yl]-6-(2-fluorophenyl)pyrazine-2-carboxamide
CID 53482432
3-amino-N-[5-(4-aminopiperidin-1-yl)-1-methylpyrazol-4-yl]-6-(2-fluorophenyl)pyrazine-2-carboxamide
CID 53482435

Frequently Asked Questions

What is the IUPAC name of 1-[1-benzyl-4-(cyanomethyl)piperidin-4-yl]-3-[(2-fluoro-4-pyridinyl)amino]pyrazole-4-carboxamide?
The IUPAC name of 1-[1-benzyl-4-(cyanomethyl)piperidin-4-yl]-3-[(2-fluoro-4-pyridinyl)amino]pyrazole-4-carboxamide (CID 89462380) is 1-[1-benzyl-4-(cyanomethyl)piperidin-4-yl]-3-[(2-fluoro-4-pyridinyl)amino]pyrazole-4-carboxamide.
What is the SMILES notation for 1-[1-benzyl-4-(cyanomethyl)piperidin-4-yl]-3-[(2-fluoro-4-pyridinyl)amino]pyrazole-4-carboxamide?
The canonical SMILES for 1-[1-benzyl-4-(cyanomethyl)piperidin-4-yl]-3-[(2-fluoro-4-pyridinyl)amino]pyrazole-4-carboxamide is N#CCC1(n2cc(C(N)=O)c(Nc3ccnc(F)c3)n2)CCN(Cc2ccccc2)CC1.
What is the InChIKey of 1-[1-benzyl-4-(cyanomethyl)piperidin-4-yl]-3-[(2-fluoro-4-pyridinyl)amino]pyrazole-4-carboxamide?
The InChIKey is RVTCNVYHXAOTAQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H24FN7O/c24-20-14-18(6-11-27-20)28-22-19(21(26)32)16-31(29-22)23(7-10-25)8-12-30(13-9-23)15-17-4-2-1-3-5-17/h1-6,11,14,16H,7-9,12-13,15H2,(H2,26,32)(H,27,28,29).
What are the key properties of 1-[1-benzyl-4-(cyanomethyl)piperidin-4-yl]-3-[(2-fluoro-4-pyridinyl)amino]pyrazole-4-carboxamide?
1-[1-benzyl-4-(cyanomethyl)piperidin-4-yl]-3-[(2-fluoro-4-pyridinyl)amino]pyrazole-4-carboxamide has a molecular weight of 433.49 g/mol, XLogP of 3.16, 7 rotatable bonds, 2 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[1-benzyl-4-(cyanomethyl)piperidin-4-yl]-3-[(2-fluoro-4-pyridinyl)amino]pyrazole-4-carboxamide is sourced from PubChem (CID 89462380), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).