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

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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).