6-[(2-amino-5-methylhexan-3-ylidene)amino]-5-fluoro-2-[(3-fluoro-1-methylindazol-5-yl)amino]pyridine-3-carboxamide

C21H25F2N7O — CID 154030092

IUPAC6-[(2-amino-5-methylhexan-3-ylidene)amino]-5-fluoro-2-[(3-fluoro-1-methylindazol-5-yl)amino]pyridine-3-carboxamide
SMILESCC(C)CC(=Nc1nc(Nc2ccc3c(c2)c(F)nn3C)c(C(N)=O)cc1F)C(C)N
InChIInChI=1S/C21H25F2N7O/c1-10(2)7-16(11(3)24)27-21-15(22)9-14(19(25)31)20(28-21)26-12-5-6-17-13(8-12)18(23)29-30(17)4/h5-6,8-11H,7,24H2,1-4H3,(H2,25,31)(H,26,28)
InChIKeyMUSJOXWDTZUTLH-UHFFFAOYSA-N
MW429.48 g/mol
LogP3.55
Rot. Bonds7

About 6-[(2-amino-5-methylhexan-3-ylidene)amino]-5-fluoro-2-[(3-fluoro-1-methylindazol-5-yl)amino]pyridine-3-carboxamide

6-[(2-amino-5-methylhexan-3-ylidene)amino]-5-fluoro-2-[(3-fluoro-1-methylindazol-5-yl)amino]pyridine-3-carboxamide (PubChem CID 154030092) has the molecular formula C21H25F2N7O and a molecular weight of 429.48 g/mol. Its IUPAC name is 6-[(2-amino-5-methylhexan-3-ylidene)amino]-5-fluoro-2-[(3-fluoro-1-methylindazol-5-yl)amino]pyridine-3-carboxamide.

Molecular Properties

Compound Name6-[(2-amino-5-methylhexan-3-ylidene)amino]-5-fluoro-2-[(3-fluoro-1-methylindazol-5-yl)amino]pyridine-3-carboxamide
PubChem CID154030092
Molecular FormulaC21H25F2N7O
Molecular Weight429.48 g/mol
Exact Mass429.21
IUPAC Name6-[(2-amino-5-methylhexan-3-ylidene)amino]-5-fluoro-2-[(3-fluoro-1-methylindazol-5-yl)amino]pyridine-3-carboxamide
SMILESCC(C)CC(=Nc1nc(Nc2ccc3c(c2)c(F)nn3C)c(C(N)=O)cc1F)C(C)N
InChIInChI=1S/C21H25F2N7O/c1-10(2)7-16(11(3)24)27-21-15(22)9-14(19(25)31)20(28-21)26-12-5-6-17-13(8-12)18(23)29-30(17)4/h5-6,8-11H,7,24H2,1-4H3,(H2,25,31)(H,26,28)
InChIKeyMUSJOXWDTZUTLH-UHFFFAOYSA-N
XLogP3.55
TPSA124.21 Ų
H-Bond Donors3
H-Bond Acceptors7
Rotatable Bonds7
Heavy Atoms31
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500429.48
LogP ≤ 53.55
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 107

Computed Properties (RDKit)

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

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Launch Full Analysis

Related Compounds

6-[(2-amino-5-methylhexan-3-yl)amino]-2-[(3-cyclopropyl-1-methylindazol-5-yl)amino]-5-fluoropyridine-3-carboxamide
CID 135305672
6-[[(2S)-2-aminocyclohexylidene]amino]-5-fluoro-2-[(1-methyl-3-propylindazol-5-yl)amino]pyridine-3-carboxamide
CID 163763806
6-[[1-[(1S)-1-aminoethyl]cyclopentyl]amino]-2-[[3-(difluoromethoxy)-1-methylindazol-5-yl]amino]-5-fluoropyridine-3-carboxamide
CID 163823366
6-[[(1R)-2-aminocyclohexyl]amino]-5-fluoro-2-[(3-fluoro-1-methylindazol-6-yl)amino]pyridine-3-carboxamide
CID 163988793
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-[[(2S,3R)-2-aminohexan-3-yl]amino]-2-[[1-(2,2-difluoroethyl)-3-propylindazol-5-yl]amino]-5-fluoropyridine-3-carboxamide
CID 154030087
6-(3-aminobutan-2-ylamino)-2-[(1-ethylindazol-5-yl)amino]-5-fluoropyridine-3-carboxamide
CID 135305750
6-[[(1R,2S)-2-amino-1-cyclopropylpropyl]amino]-5-fluoro-2-[[3-[2-methoxyethyl(methyl)amino]-1-methylindol-5-yl]amino]pyridine-3-carboxamide
CID 134187913
tert-butyl (3R,4R)-4-[[5-carbamoyl-3-fluoro-6-[(1-methylindazol-5-yl)amino]-2-pyridinyl]amino]-3-ethylpentanoate
CID 147863066
6-amino-2-(3,4-dimethylanilino)-5-fluoropyridine-3-carboxamide
CID 134187946
6-fluoro-2-[[3-methoxy-1-(2-methoxyethyl)indazol-5-yl]amino]pyridine-3-carboxamide
CID 141442617

Frequently Asked Questions

What is the IUPAC name of 6-[(2-amino-5-methylhexan-3-ylidene)amino]-5-fluoro-2-[(3-fluoro-1-methylindazol-5-yl)amino]pyridine-3-carboxamide?
The IUPAC name of 6-[(2-amino-5-methylhexan-3-ylidene)amino]-5-fluoro-2-[(3-fluoro-1-methylindazol-5-yl)amino]pyridine-3-carboxamide (CID 154030092) is 6-[(2-amino-5-methylhexan-3-ylidene)amino]-5-fluoro-2-[(3-fluoro-1-methylindazol-5-yl)amino]pyridine-3-carboxamide.
What is the SMILES notation for 6-[(2-amino-5-methylhexan-3-ylidene)amino]-5-fluoro-2-[(3-fluoro-1-methylindazol-5-yl)amino]pyridine-3-carboxamide?
The canonical SMILES for 6-[(2-amino-5-methylhexan-3-ylidene)amino]-5-fluoro-2-[(3-fluoro-1-methylindazol-5-yl)amino]pyridine-3-carboxamide is CC(C)CC(=Nc1nc(Nc2ccc3c(c2)c(F)nn3C)c(C(N)=O)cc1F)C(C)N.
What is the InChIKey of 6-[(2-amino-5-methylhexan-3-ylidene)amino]-5-fluoro-2-[(3-fluoro-1-methylindazol-5-yl)amino]pyridine-3-carboxamide?
The InChIKey is MUSJOXWDTZUTLH-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H25F2N7O/c1-10(2)7-16(11(3)24)27-21-15(22)9-14(19(25)31)20(28-21)26-12-5-6-17-13(8-12)18(23)29-30(17)4/h5-6,8-11H,7,24H2,1-4H3,(H2,25,31)(H,26,28).
What are the key properties of 6-[(2-amino-5-methylhexan-3-ylidene)amino]-5-fluoro-2-[(3-fluoro-1-methylindazol-5-yl)amino]pyridine-3-carboxamide?
6-[(2-amino-5-methylhexan-3-ylidene)amino]-5-fluoro-2-[(3-fluoro-1-methylindazol-5-yl)amino]pyridine-3-carboxamide has a molecular weight of 429.48 g/mol, XLogP of 3.55, 7 rotatable bonds, 3 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 6-[(2-amino-5-methylhexan-3-ylidene)amino]-5-fluoro-2-[(3-fluoro-1-methylindazol-5-yl)amino]pyridine-3-carboxamide is sourced from PubChem (CID 154030092), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).