6-[[(1R,2S)-2-aminocyclohexyl]amino]-5-fluoro-4-[(2-methylindazol-5-yl)amino]pyridine-3-carboxamide

C20H24FN7O — CID 90266277

IUPAC6-[[(1R,2S)-2-aminocyclohexyl]amino]-5-fluoro-4-[(2-methylindazol-5-yl)amino]pyridine-3-carboxamide
SMILESCn1cc2cc(Nc3c(C(N)=O)cnc(N[C@@H]4CCCC[C@@H]4N)c3F)ccc2n1
InChIInChI=1S/C20H24FN7O/c1-28-10-11-8-12(6-7-15(11)27-28)25-18-13(19(23)29)9-24-20(17(18)21)26-16-5-3-2-4-14(16)22/h6-10,14,16H,2-5,22H2,1H3,(H2,23,29)(H2,24,25,26)/t14-,16+/m0/s1
InChIKeyVKBRAHBXELLDFO-GOEBONIOSA-N
MW397.46 g/mol
LogP2.63
Rot. Bonds5

About 6-[[(1R,2S)-2-aminocyclohexyl]amino]-5-fluoro-4-[(2-methylindazol-5-yl)amino]pyridine-3-carboxamide

6-[[(1R,2S)-2-aminocyclohexyl]amino]-5-fluoro-4-[(2-methylindazol-5-yl)amino]pyridine-3-carboxamide (PubChem CID 90266277) has the molecular formula C20H24FN7O and a molecular weight of 397.46 g/mol. Its IUPAC name is 6-[[(1R,2S)-2-aminocyclohexyl]amino]-5-fluoro-4-[(2-methylindazol-5-yl)amino]pyridine-3-carboxamide.

Molecular Properties

Compound Name6-[[(1R,2S)-2-aminocyclohexyl]amino]-5-fluoro-4-[(2-methylindazol-5-yl)amino]pyridine-3-carboxamide
PubChem CID90266277
Molecular FormulaC20H24FN7O
Molecular Weight397.46 g/mol
Exact Mass397.20
IUPAC Name6-[[(1R,2S)-2-aminocyclohexyl]amino]-5-fluoro-4-[(2-methylindazol-5-yl)amino]pyridine-3-carboxamide
SMILESCn1cc2cc(Nc3c(C(N)=O)cnc(N[C@@H]4CCCC[C@@H]4N)c3F)ccc2n1
InChIInChI=1S/C20H24FN7O/c1-28-10-11-8-12(6-7-15(11)27-28)25-18-13(19(23)29)9-24-20(17(18)21)26-16-5-3-2-4-14(16)22/h6-10,14,16H,2-5,22H2,1H3,(H2,23,29)(H2,24,25,26)/t14-,16+/m0/s1
InChIKeyVKBRAHBXELLDFO-GOEBONIOSA-N
XLogP2.63
TPSA123.88 Ų
H-Bond Donors4
H-Bond Acceptors7
Rotatable Bonds5
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500397.46
LogP ≤ 52.63
H-Bond Donors ≤ 54
H-Bond Acceptors ≤ 107

Analyze 6-[[(1R,2S)-2-aminocyclohexyl]amino]-5-fluoro-4-[(2-methylindazol-5-yl)amino]pyridine-3-carboxamide with MolForge

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Related Compounds

2-[[(1R,2S)-2-aminocyclohexyl]amino]-4-[(6-fluoronaphthalen-2-yl)amino]pyrimidine-5-carboxamide
CID 57472000
6-[[(1R)-2-aminocyclohexyl]amino]-5-fluoro-2-[(3-fluoro-1-methylindazol-6-yl)amino]pyridine-3-carboxamide
CID 163988793
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
6-[(2-aminocyclohexyl)amino]-5-fluoro-2-(isoquinolin-7-ylamino)pyridine-3-carboxamide
CID 77353295
4-[[(1R,2S)-2-aminocyclohexyl]amino]-2-[(1-methylpyrazol-4-yl)amino]benzamide
CID 57334335
6-[[(1R,2S)-2-aminocyclohexyl]amino]-2-(4-chloroanilino)-5-fluoropyridine-3-carboxamide
CID 69285084
2-[[(1R,2S)-2-aminocyclohexyl]amino]-4-[(2-cyanoquinolin-6-yl)amino]pyrimidine-5-carboxamide
CID 57471946
4-(3-aminoanilino)-2-[(2-aminocyclohexyl)amino]pyrimidine-5-carboxamide
CID 123987334
6-[[(1R,2S)-2-aminocyclohexyl]amino]-5-bromo-2-(quinolin-3-ylamino)pyridine-3-carboxamide
CID 56599952
2-[[(1R,2S)-2-aminocyclohexyl]amino]-4-(isoquinolin-7-ylamino)pyrimidine-5-carboxamide
CID 71577948
6-[[(1R,2S)-2-aminocyclohexyl]amino]-5-fluoro-2-[(1-propan-2-ylpyrazol-4-yl)amino]pyridine-3-carboxamide
CID 69284871

Frequently Asked Questions

What is the IUPAC name of 6-[[(1R,2S)-2-aminocyclohexyl]amino]-5-fluoro-4-[(2-methylindazol-5-yl)amino]pyridine-3-carboxamide?
The IUPAC name of 6-[[(1R,2S)-2-aminocyclohexyl]amino]-5-fluoro-4-[(2-methylindazol-5-yl)amino]pyridine-3-carboxamide (CID 90266277) is 6-[[(1R,2S)-2-aminocyclohexyl]amino]-5-fluoro-4-[(2-methylindazol-5-yl)amino]pyridine-3-carboxamide.
What is the SMILES notation for 6-[[(1R,2S)-2-aminocyclohexyl]amino]-5-fluoro-4-[(2-methylindazol-5-yl)amino]pyridine-3-carboxamide?
The canonical SMILES for 6-[[(1R,2S)-2-aminocyclohexyl]amino]-5-fluoro-4-[(2-methylindazol-5-yl)amino]pyridine-3-carboxamide is Cn1cc2cc(Nc3c(C(N)=O)cnc(N[C@@H]4CCCC[C@@H]4N)c3F)ccc2n1.
What is the InChIKey of 6-[[(1R,2S)-2-aminocyclohexyl]amino]-5-fluoro-4-[(2-methylindazol-5-yl)amino]pyridine-3-carboxamide?
The InChIKey is VKBRAHBXELLDFO-GOEBONIOSA-N. The full InChI is InChI=1S/C20H24FN7O/c1-28-10-11-8-12(6-7-15(11)27-28)25-18-13(19(23)29)9-24-20(17(18)21)26-16-5-3-2-4-14(16)22/h6-10,14,16H,2-5,22H2,1H3,(H2,23,29)(H2,24,25,26)/t14-,16+/m0/s1.
What are the key properties of 6-[[(1R,2S)-2-aminocyclohexyl]amino]-5-fluoro-4-[(2-methylindazol-5-yl)amino]pyridine-3-carboxamide?
6-[[(1R,2S)-2-aminocyclohexyl]amino]-5-fluoro-4-[(2-methylindazol-5-yl)amino]pyridine-3-carboxamide has a molecular weight of 397.46 g/mol, XLogP of 2.63, 5 rotatable bonds, 4 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 6-[[(1R,2S)-2-aminocyclohexyl]amino]-5-fluoro-4-[(2-methylindazol-5-yl)amino]pyridine-3-carboxamide is sourced from PubChem (CID 90266277), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).