5-fluoro-6-[methyl-[2-(methylamino)cyclohexyl]amino]-2-(3-pyrazol-1-ylanilino)pyridine-3-carboxamide

C23H28FN7O — CID 123644186

IUPAC5-fluoro-6-[methyl-[2-(methylamino)cyclohexyl]amino]-2-(3-pyrazol-1-ylanilino)pyridine-3-carboxamide
SMILESCNC1CCCCC1N(C)c1nc(Nc2cccc(-n3cccn3)c2)c(C(N)=O)cc1F
InChIInChI=1S/C23H28FN7O/c1-26-19-9-3-4-10-20(19)30(2)23-18(24)14-17(21(25)32)22(29-23)28-15-7-5-8-16(13-15)31-12-6-11-27-31/h5-8,11-14,19-20,26H,3-4,9-10H2,1-2H3,(H2,25,32)(H,28,29)
InChIKeyUNOUPIXPQFBIJD-UHFFFAOYSA-N
MW437.52 g/mol
LogP3.22
Rot. Bonds7

About 5-fluoro-6-[methyl-[2-(methylamino)cyclohexyl]amino]-2-(3-pyrazol-1-ylanilino)pyridine-3-carboxamide

5-fluoro-6-[methyl-[2-(methylamino)cyclohexyl]amino]-2-(3-pyrazol-1-ylanilino)pyridine-3-carboxamide (PubChem CID 123644186) has the molecular formula C23H28FN7O and a molecular weight of 437.52 g/mol. Its IUPAC name is 5-fluoro-6-[methyl-[2-(methylamino)cyclohexyl]amino]-2-(3-pyrazol-1-ylanilino)pyridine-3-carboxamide.

Molecular Properties

Compound Name5-fluoro-6-[methyl-[2-(methylamino)cyclohexyl]amino]-2-(3-pyrazol-1-ylanilino)pyridine-3-carboxamide
PubChem CID123644186
Molecular FormulaC23H28FN7O
Molecular Weight437.52 g/mol
Exact Mass437.23
IUPAC Name5-fluoro-6-[methyl-[2-(methylamino)cyclohexyl]amino]-2-(3-pyrazol-1-ylanilino)pyridine-3-carboxamide
SMILESCNC1CCCCC1N(C)c1nc(Nc2cccc(-n3cccn3)c2)c(C(N)=O)cc1F
InChIInChI=1S/C23H28FN7O/c1-26-19-9-3-4-10-20(19)30(2)23-18(24)14-17(21(25)32)22(29-23)28-15-7-5-8-16(13-15)31-12-6-11-27-31/h5-8,11-14,19-20,26H,3-4,9-10H2,1-2H3,(H2,25,32)(H,28,29)
InChIKeyUNOUPIXPQFBIJD-UHFFFAOYSA-N
XLogP3.22
TPSA101.10 Ų
H-Bond Donors3
H-Bond Acceptors7
Rotatable Bonds7
Heavy Atoms32
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500437.52
LogP ≤ 53.22
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 107

Analyze 5-fluoro-6-[methyl-[2-(methylamino)cyclohexyl]amino]-2-(3-pyrazol-1-ylanilino)pyridine-3-carboxamide with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

6-[[(1R,2S)-2-aminocyclohexyl]amino]-5-fluoro-2-[(5-pyrazol-1-yl-3-pyridinyl)amino]pyridine-3-carboxamide
CID 67777059
6-[[(1R,2S)-2-aminocyclohexyl]amino]-5-fluoro-2-[3-(1,2,4-triazol-1-yl)anilino]pyridine-3-carboxamide
CID 67510063
6-[(2-aminocyclohexyl)amino]-5-fluoro-2-[(2-pyrazol-1-yl-4-pyridinyl)amino]pyridine-3-carboxamide
CID 77352547
2-[(2,6-dimethyl-4-pyridinyl)amino]-6-[(2-ethylcyclohexyl)-methylamino]-5-fluoropyridine-3-carboxamide
CID 123780469
6-[[(1R)-2-aminocyclohexyl]-methylamino]-2-[[5-(3-aminophenyl)-3-pyridinyl]amino]-5-fluoropyridine-3-carboxamide
CID 68612196
6-[[(1R,2R)-2-amino-3,3-difluorocyclohexyl]amino]-5-fluoro-2-[3-(triazol-2-yl)anilino]pyridine-3-carboxamide
CID 57335964
2-[[(1R,2S)-2-aminocyclohexyl]amino]-6-[3-(triazol-2-yl)anilino]pyridine-3,5-dicarboxamide
CID 69284244
5-fluoro-2-[(5-imidazol-1-yl-3-pyridinyl)amino]-6-[[(1R,2S)-2-(methylamino)cyclohexyl]amino]pyridine-3-carboxamide
CID 129192209
6-[[(1R)-2-aminocyclohexyl]amino]-5-fluoro-2-(3-methylanilino)pyridine-3-carboxamide
CID 163538424
6-[[(2S)-2-aminocyclohexyl]amino]-5-fluoro-2-(3-methylanilino)pyridine-3-carboxamide
CID 56599745
5-fluoro-6-[[2-(methylamino)cyclohexyl]amino]-2-(1,8-naphthyridin-4-ylamino)pyridine-3-carboxamide
CID 129192285
6-[[(1R,2S)-2-aminocyclohexyl]amino]-2-[3-(triazol-2-yl)anilino]pyridine-3-carboxamide
CID 67775149

Frequently Asked Questions

What is the IUPAC name of 5-fluoro-6-[methyl-[2-(methylamino)cyclohexyl]amino]-2-(3-pyrazol-1-ylanilino)pyridine-3-carboxamide?
The IUPAC name of 5-fluoro-6-[methyl-[2-(methylamino)cyclohexyl]amino]-2-(3-pyrazol-1-ylanilino)pyridine-3-carboxamide (CID 123644186) is 5-fluoro-6-[methyl-[2-(methylamino)cyclohexyl]amino]-2-(3-pyrazol-1-ylanilino)pyridine-3-carboxamide.
What is the SMILES notation for 5-fluoro-6-[methyl-[2-(methylamino)cyclohexyl]amino]-2-(3-pyrazol-1-ylanilino)pyridine-3-carboxamide?
The canonical SMILES for 5-fluoro-6-[methyl-[2-(methylamino)cyclohexyl]amino]-2-(3-pyrazol-1-ylanilino)pyridine-3-carboxamide is CNC1CCCCC1N(C)c1nc(Nc2cccc(-n3cccn3)c2)c(C(N)=O)cc1F.
What is the InChIKey of 5-fluoro-6-[methyl-[2-(methylamino)cyclohexyl]amino]-2-(3-pyrazol-1-ylanilino)pyridine-3-carboxamide?
The InChIKey is UNOUPIXPQFBIJD-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H28FN7O/c1-26-19-9-3-4-10-20(19)30(2)23-18(24)14-17(21(25)32)22(29-23)28-15-7-5-8-16(13-15)31-12-6-11-27-31/h5-8,11-14,19-20,26H,3-4,9-10H2,1-2H3,(H2,25,32)(H,28,29).
What are the key properties of 5-fluoro-6-[methyl-[2-(methylamino)cyclohexyl]amino]-2-(3-pyrazol-1-ylanilino)pyridine-3-carboxamide?
5-fluoro-6-[methyl-[2-(methylamino)cyclohexyl]amino]-2-(3-pyrazol-1-ylanilino)pyridine-3-carboxamide has a molecular weight of 437.52 g/mol, XLogP of 3.22, 7 rotatable bonds, 3 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 5-fluoro-6-[methyl-[2-(methylamino)cyclohexyl]amino]-2-(3-pyrazol-1-ylanilino)pyridine-3-carboxamide is sourced from PubChem (CID 123644186), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).