6-[[(2S)-2-aminocyclohexylidene]amino]-5-fluoro-2-[(1-methyl-3-propylindazol-5-yl)amino]pyridine-3-carboxamide

C23H28FN7O — CID 163763806

IUPAC6-[[(2S)-2-aminocyclohexylidene]amino]-5-fluoro-2-[(1-methyl-3-propylindazol-5-yl)amino]pyridine-3-carboxamide
SMILESCCCc1nn(C)c2ccc(Nc3nc(N=C4CCCC[C@@H]4N)c(F)cc3C(N)=O)cc12
InChIInChI=1S/C23H28FN7O/c1-3-6-18-14-11-13(9-10-20(14)31(2)30-18)27-22-15(21(26)32)12-16(24)23(29-22)28-19-8-5-4-7-17(19)25/h9-12,17H,3-8,25H2,1-2H3,(H2,26,32)(H,27,29)/t17-/m0/s1
InChIKeyMAMKBLCVTVLIBN-KRWDZBQOSA-N
MW437.52 g/mol
LogP3.88
Rot. Bonds6

About 6-[[(2S)-2-aminocyclohexylidene]amino]-5-fluoro-2-[(1-methyl-3-propylindazol-5-yl)amino]pyridine-3-carboxamide

6-[[(2S)-2-aminocyclohexylidene]amino]-5-fluoro-2-[(1-methyl-3-propylindazol-5-yl)amino]pyridine-3-carboxamide (PubChem CID 163763806) has the molecular formula C23H28FN7O and a molecular weight of 437.52 g/mol. Its IUPAC name is 6-[[(2S)-2-aminocyclohexylidene]amino]-5-fluoro-2-[(1-methyl-3-propylindazol-5-yl)amino]pyridine-3-carboxamide.

Molecular Properties

Compound Name6-[[(2S)-2-aminocyclohexylidene]amino]-5-fluoro-2-[(1-methyl-3-propylindazol-5-yl)amino]pyridine-3-carboxamide
PubChem CID163763806
Molecular FormulaC23H28FN7O
Molecular Weight437.52 g/mol
Exact Mass437.23
IUPAC Name6-[[(2S)-2-aminocyclohexylidene]amino]-5-fluoro-2-[(1-methyl-3-propylindazol-5-yl)amino]pyridine-3-carboxamide
SMILESCCCc1nn(C)c2ccc(Nc3nc(N=C4CCCC[C@@H]4N)c(F)cc3C(N)=O)cc12
InChIInChI=1S/C23H28FN7O/c1-3-6-18-14-11-13(9-10-20(14)31(2)30-18)27-22-15(21(26)32)12-16(24)23(29-22)28-19-8-5-4-7-17(19)25/h9-12,17H,3-8,25H2,1-2H3,(H2,26,32)(H,27,29)/t17-/m0/s1
InChIKeyMAMKBLCVTVLIBN-KRWDZBQOSA-N
XLogP3.88
TPSA124.21 Ų
H-Bond Donors3
H-Bond Acceptors7
Rotatable Bonds6
Heavy Atoms32
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500437.52
LogP ≤ 53.88
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 107

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'imine_1', 'substructure': 'N/A'}

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Related Compounds

6-[(2-aminocyclohexylidene)amino]-5-fluoro-2-[[8-(methylamino)quinolin-6-yl]amino]pyridine-3-carboxamide
CID 154030044
6-[(2-amino-5-methylhexan-3-ylidene)amino]-5-fluoro-2-[(3-fluoro-1-methylindazol-5-yl)amino]pyridine-3-carboxamide
CID 154030092
6-[[(1R)-2-aminocyclohexyl]amino]-5-fluoro-2-[(3-fluoro-1-methylindazol-6-yl)amino]pyridine-3-carboxamide
CID 163988793
6-[[(2S,3R)-2-aminohexan-3-yl]amino]-2-[[1-(2,2-difluoroethyl)-3-propylindazol-5-yl]amino]-5-fluoropyridine-3-carboxamide
CID 154030087
6-[(2-amino-5-methylhexan-3-yl)amino]-2-[(3-cyclopropyl-1-methylindazol-5-yl)amino]-5-fluoropyridine-3-carboxamide
CID 135305672
2-[[(2S)-2-aminocyclohexylidene]amino]-4-(naphthalen-2-ylamino)pyrimidine-5-carboxamide
CID 147176443
6-[[1-[(1S)-1-aminoethyl]cyclopentyl]amino]-2-[[3-(difluoromethoxy)-1-methylindazol-5-yl]amino]-5-fluoropyridine-3-carboxamide
CID 163823366
6-[[(1R,2S)-2-aminocyclohexyl]amino]-2-(4-chloroanilino)-5-fluoropyridine-3-carboxamide
CID 69285084
6-[(3-amino-1-cyclopropylbutan-2-yl)amino]-2-[(1,3-dimethylindazol-6-yl)amino]-5-fluoropyridine-3-carboxamide
CID 135305674
6-(4-aminohexan-3-ylamino)-5-fluoro-2-[(1-methylindazol-5-yl)amino]pyridine-3-carboxamide
CID 135305660
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

Frequently Asked Questions

What is the IUPAC name of 6-[[(2S)-2-aminocyclohexylidene]amino]-5-fluoro-2-[(1-methyl-3-propylindazol-5-yl)amino]pyridine-3-carboxamide?
The IUPAC name of 6-[[(2S)-2-aminocyclohexylidene]amino]-5-fluoro-2-[(1-methyl-3-propylindazol-5-yl)amino]pyridine-3-carboxamide (CID 163763806) is 6-[[(2S)-2-aminocyclohexylidene]amino]-5-fluoro-2-[(1-methyl-3-propylindazol-5-yl)amino]pyridine-3-carboxamide.
What is the SMILES notation for 6-[[(2S)-2-aminocyclohexylidene]amino]-5-fluoro-2-[(1-methyl-3-propylindazol-5-yl)amino]pyridine-3-carboxamide?
The canonical SMILES for 6-[[(2S)-2-aminocyclohexylidene]amino]-5-fluoro-2-[(1-methyl-3-propylindazol-5-yl)amino]pyridine-3-carboxamide is CCCc1nn(C)c2ccc(Nc3nc(N=C4CCCC[C@@H]4N)c(F)cc3C(N)=O)cc12.
What is the InChIKey of 6-[[(2S)-2-aminocyclohexylidene]amino]-5-fluoro-2-[(1-methyl-3-propylindazol-5-yl)amino]pyridine-3-carboxamide?
The InChIKey is MAMKBLCVTVLIBN-KRWDZBQOSA-N. The full InChI is InChI=1S/C23H28FN7O/c1-3-6-18-14-11-13(9-10-20(14)31(2)30-18)27-22-15(21(26)32)12-16(24)23(29-22)28-19-8-5-4-7-17(19)25/h9-12,17H,3-8,25H2,1-2H3,(H2,26,32)(H,27,29)/t17-/m0/s1.
What are the key properties of 6-[[(2S)-2-aminocyclohexylidene]amino]-5-fluoro-2-[(1-methyl-3-propylindazol-5-yl)amino]pyridine-3-carboxamide?
6-[[(2S)-2-aminocyclohexylidene]amino]-5-fluoro-2-[(1-methyl-3-propylindazol-5-yl)amino]pyridine-3-carboxamide has a molecular weight of 437.52 g/mol, XLogP of 3.88, 6 rotatable bonds, 3 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 6-[[(2S)-2-aminocyclohexylidene]amino]-5-fluoro-2-[(1-methyl-3-propylindazol-5-yl)amino]pyridine-3-carboxamide is sourced from PubChem (CID 163763806), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).