1-[1-[(3-cyanophenyl)methyl]-4-methylpiperidin-4-yl]-3-[(2-fluoro-4-pyridinyl)amino]pyrazole-4-carboxamide

C23H24FN7O — CID 89473587

IUPAC1-[1-[(3-cyanophenyl)methyl]-4-methylpiperidin-4-yl]-3-[(2-fluoro-4-pyridinyl)amino]pyrazole-4-carboxamide
SMILESCC1(n2cc(C(N)=O)c(Nc3ccnc(F)c3)n2)CCN(Cc2cccc(C#N)c2)CC1
InChIInChI=1S/C23H24FN7O/c1-23(6-9-30(10-7-23)14-17-4-2-3-16(11-17)13-25)31-15-19(21(26)32)22(29-31)28-18-5-8-27-20(24)12-18/h2-5,8,11-12,15H,6-7,9-10,14H2,1H3,(H2,26,32)(H,27,28,29)
InChIKeyGGEUINZVFKXGJF-UHFFFAOYSA-N
MW433.49 g/mol
LogP3.14
Rot. Bonds6

About 1-[1-[(3-cyanophenyl)methyl]-4-methylpiperidin-4-yl]-3-[(2-fluoro-4-pyridinyl)amino]pyrazole-4-carboxamide

1-[1-[(3-cyanophenyl)methyl]-4-methylpiperidin-4-yl]-3-[(2-fluoro-4-pyridinyl)amino]pyrazole-4-carboxamide (PubChem CID 89473587) has the molecular formula C23H24FN7O and a molecular weight of 433.49 g/mol. Its IUPAC name is 1-[1-[(3-cyanophenyl)methyl]-4-methylpiperidin-4-yl]-3-[(2-fluoro-4-pyridinyl)amino]pyrazole-4-carboxamide.

Molecular Properties

Compound Name1-[1-[(3-cyanophenyl)methyl]-4-methylpiperidin-4-yl]-3-[(2-fluoro-4-pyridinyl)amino]pyrazole-4-carboxamide
PubChem CID89473587
Molecular FormulaC23H24FN7O
Molecular Weight433.49 g/mol
Exact Mass433.20
IUPAC Name1-[1-[(3-cyanophenyl)methyl]-4-methylpiperidin-4-yl]-3-[(2-fluoro-4-pyridinyl)amino]pyrazole-4-carboxamide
SMILESCC1(n2cc(C(N)=O)c(Nc3ccnc(F)c3)n2)CCN(Cc2cccc(C#N)c2)CC1
InChIInChI=1S/C23H24FN7O/c1-23(6-9-30(10-7-23)14-17-4-2-3-16(11-17)13-25)31-15-19(21(26)32)22(29-31)28-18-5-8-27-20(24)12-18/h2-5,8,11-12,15H,6-7,9-10,14H2,1H3,(H2,26,32)(H,27,28,29)
InChIKeyGGEUINZVFKXGJF-UHFFFAOYSA-N
XLogP3.14
TPSA112.86 Ų
H-Bond Donors2
H-Bond Acceptors7
Rotatable Bonds6
Heavy Atoms32
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500433.49
LogP ≤ 53.14
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 107

Computed Properties (RDKit)

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

Analyze 1-[1-[(3-cyanophenyl)methyl]-4-methylpiperidin-4-yl]-3-[(2-fluoro-4-pyridinyl)amino]pyrazole-4-carboxamide with MolForge

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Launch Full Analysis

Related Compounds

1-[4-(cyanomethyl)-1-[(3-cyanophenyl)methyl]piperidin-4-yl]-3-[(2-fluoro-4-pyridinyl)amino]pyrazole-4-carboxamide
CID 89462510
1-[4-(cyanomethyl)-1-[(4-cyanophenyl)methyl]piperidin-4-yl]-3-[(2-fluoro-4-pyridinyl)amino]pyrazole-4-carboxamide
CID 90330897
3-[(2-fluoro-4-pyridinyl)amino]-1-[4-[(2-hydroxyphenyl)methylamino]-1-methylcyclohexyl]pyrazole-4-carboxamide
CID 89473482
1-[4-(cyanomethyl)-1-[(2-fluoro-5-methyl-3-pyridinyl)methyl]piperidin-4-yl]-3-[(2-fluoro-4-pyridinyl)amino]pyrazole-4-carboxamide
CID 89462829
1-[4-(cyanomethyl)-1-[[3-(2-hydroxypropan-2-yl)cyclobutyl]methyl]piperidin-4-yl]-3-[(2-fluoro-4-pyridinyl)amino]pyrazole-4-carboxamide
CID 89462249
1-[1-(cyanomethyl)-4-(2,2,2-trifluoroethylamino)cyclohexyl]-3-[(2-fluoro-4-pyridinyl)amino]pyrazole-4-carboxamide
CID 89462146
1-[4-(cyanomethyl)-1-(3,3,3-trifluoropropanoyl)piperidin-4-yl]-3-[(2-fluoro-4-pyridinyl)amino]pyrazole-4-carboxamide
CID 89462274
1-(2-cyano-1-cyclopropylethyl)-3-[(2-fluoro-4-pyridinyl)amino]pyrazole-4-carboxamide
CID 71538223
3-anilino-1-[4-(cyanomethyl)-1-[(4-propan-2-ylphenyl)methyl]piperidin-4-yl]pyrazole-4-carboxamide
CID 89473524
1-[4-(cyanomethyl)-1-(furan-2-ylmethyl)piperidin-4-yl]-3-(4-fluoroanilino)pyrazole-4-carboxamide
CID 89462460
1-[(4S)-4-cyanothiolan-3-yl]-3-[(2-fluoro-4-pyridinyl)amino]pyrazole-4-carboxamide
CID 90348942
1-[(3R,4R)-4-cyano-1,1-dihydroxythiolan-3-yl]-3-[(2-fluoro-4-pyridinyl)amino]pyrazole-4-carboxamide
CID 90343770

Frequently Asked Questions

What is the IUPAC name of 1-[1-[(3-cyanophenyl)methyl]-4-methylpiperidin-4-yl]-3-[(2-fluoro-4-pyridinyl)amino]pyrazole-4-carboxamide?
The IUPAC name of 1-[1-[(3-cyanophenyl)methyl]-4-methylpiperidin-4-yl]-3-[(2-fluoro-4-pyridinyl)amino]pyrazole-4-carboxamide (CID 89473587) is 1-[1-[(3-cyanophenyl)methyl]-4-methylpiperidin-4-yl]-3-[(2-fluoro-4-pyridinyl)amino]pyrazole-4-carboxamide.
What is the SMILES notation for 1-[1-[(3-cyanophenyl)methyl]-4-methylpiperidin-4-yl]-3-[(2-fluoro-4-pyridinyl)amino]pyrazole-4-carboxamide?
The canonical SMILES for 1-[1-[(3-cyanophenyl)methyl]-4-methylpiperidin-4-yl]-3-[(2-fluoro-4-pyridinyl)amino]pyrazole-4-carboxamide is CC1(n2cc(C(N)=O)c(Nc3ccnc(F)c3)n2)CCN(Cc2cccc(C#N)c2)CC1.
What is the InChIKey of 1-[1-[(3-cyanophenyl)methyl]-4-methylpiperidin-4-yl]-3-[(2-fluoro-4-pyridinyl)amino]pyrazole-4-carboxamide?
The InChIKey is GGEUINZVFKXGJF-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H24FN7O/c1-23(6-9-30(10-7-23)14-17-4-2-3-16(11-17)13-25)31-15-19(21(26)32)22(29-31)28-18-5-8-27-20(24)12-18/h2-5,8,11-12,15H,6-7,9-10,14H2,1H3,(H2,26,32)(H,27,28,29).
What are the key properties of 1-[1-[(3-cyanophenyl)methyl]-4-methylpiperidin-4-yl]-3-[(2-fluoro-4-pyridinyl)amino]pyrazole-4-carboxamide?
1-[1-[(3-cyanophenyl)methyl]-4-methylpiperidin-4-yl]-3-[(2-fluoro-4-pyridinyl)amino]pyrazole-4-carboxamide has a molecular weight of 433.49 g/mol, XLogP of 3.14, 6 rotatable bonds, 2 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[1-[(3-cyanophenyl)methyl]-4-methylpiperidin-4-yl]-3-[(2-fluoro-4-pyridinyl)amino]pyrazole-4-carboxamide is sourced from PubChem (CID 89473587), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).