6-[2-(cyclohexylamino)-6-fluoro-4-methoxypyrrolo[2,1-f][1,2,4]triazin-5-yl]-8-fluoro-N-methylimidazo[1,2-a]pyridine-3-carboxamide

C22H23F2N7O2 — CID 170642954

IUPAC6-[2-(cyclohexylamino)-6-fluoro-4-methoxypyrrolo[2,1-f][1,2,4]triazin-5-yl]-8-fluoro-N-methylimidazo[1,2-a]pyridine-3-carboxamide
SMILESCNC(=O)c1cnc2c(F)cc(-c3c(F)cn4nc(NC5CCCCC5)nc(OC)c34)cn12
InChIInChI=1S/C22H23F2N7O2/c1-25-20(32)16-9-26-19-14(23)8-12(10-30(16)19)17-15(24)11-31-18(17)21(33-2)28-22(29-31)27-13-6-4-3-5-7-13/h8-11,13H,3-7H2,1-2H3,(H,25,32)(H,27,29)
InChIKeyGVIIWXLIRPSGBH-UHFFFAOYSA-N
MW455.47 g/mol
LogP3.43
Rot. Bonds5

About 6-[2-(cyclohexylamino)-6-fluoro-4-methoxypyrrolo[2,1-f][1,2,4]triazin-5-yl]-8-fluoro-N-methylimidazo[1,2-a]pyridine-3-carboxamide

6-[2-(cyclohexylamino)-6-fluoro-4-methoxypyrrolo[2,1-f][1,2,4]triazin-5-yl]-8-fluoro-N-methylimidazo[1,2-a]pyridine-3-carboxamide (PubChem CID 170642954) has the molecular formula C22H23F2N7O2 and a molecular weight of 455.47 g/mol. Its IUPAC name is 6-[2-(cyclohexylamino)-6-fluoro-4-methoxypyrrolo[2,1-f][1,2,4]triazin-5-yl]-8-fluoro-N-methylimidazo[1,2-a]pyridine-3-carboxamide.

Molecular Properties

Compound Name6-[2-(cyclohexylamino)-6-fluoro-4-methoxypyrrolo[2,1-f][1,2,4]triazin-5-yl]-8-fluoro-N-methylimidazo[1,2-a]pyridine-3-carboxamide
PubChem CID170642954
Molecular FormulaC22H23F2N7O2
Molecular Weight455.47 g/mol
Exact Mass455.19
IUPAC Name6-[2-(cyclohexylamino)-6-fluoro-4-methoxypyrrolo[2,1-f][1,2,4]triazin-5-yl]-8-fluoro-N-methylimidazo[1,2-a]pyridine-3-carboxamide
SMILESCNC(=O)c1cnc2c(F)cc(-c3c(F)cn4nc(NC5CCCCC5)nc(OC)c34)cn12
InChIInChI=1S/C22H23F2N7O2/c1-25-20(32)16-9-26-19-14(23)8-12(10-30(16)19)17-15(24)11-31-18(17)21(33-2)28-22(29-31)27-13-6-4-3-5-7-13/h8-11,13H,3-7H2,1-2H3,(H,25,32)(H,27,29)
InChIKeyGVIIWXLIRPSGBH-UHFFFAOYSA-N
XLogP3.43
TPSA97.85 Ų
H-Bond Donors2
H-Bond Acceptors8
Rotatable Bonds5
Heavy Atoms33
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500455.47
LogP ≤ 53.43
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 108

Analyze 6-[2-(cyclohexylamino)-6-fluoro-4-methoxypyrrolo[2,1-f][1,2,4]triazin-5-yl]-8-fluoro-N-methylimidazo[1,2-a]pyridine-3-carboxamide with MolForge

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Related Compounds

5-[6-fluoro-4-methoxy-2-(spiro[2.5]octan-6-ylamino)pyrrolo[2,1-f][1,2,4]triazin-5-yl]-N-methylpyrazolo[1,5-a]pyridine-3-carboxamide
CID 170642542
5-[2-[(4-ethyl-4-hydroxycyclohexyl)amino]-6-fluoro-4-methoxypyrrolo[2,1-f][1,2,4]triazin-5-yl]-N-methylpyrazolo[1,5-a]pyridine-3-carboxamide
CID 170657369
N-[4-[(6-fluoro-4-methoxy-5-quinoxalin-6-ylpyrrolo[2,1-f][1,2,4]triazin-2-yl)amino]cyclohexyl]acetamide
CID 170642459
6-[2-[(4,4-dimethylcyclohexyl)amino]-4-methoxypyrrolo[2,1-f][1,2,4]triazin-5-yl]-N-methylimidazo[1,2-a]pyridine-3-carboxamide
CID 170642352
6-[2-[(4-ethyl-4-hydroxycyclohexyl)amino]-4-methoxypyrrolo[2,1-f][1,2,4]triazin-5-yl]-N-methylimidazo[1,2-a]pyridine-3-carboxamide
CID 170657324
4-[(6-fluoro-4-methoxy-5-quinolin-6-ylpyrrolo[2,1-f][1,2,4]triazin-2-yl)amino]-1-methylcyclohexan-1-ol
CID 170641750
5-[3-(difluoromethyl)imidazo[1,2-a]pyrimidin-6-yl]-N-[3,3-difluoro-1-(trideuteriomethyl)piperidin-4-yl]-6-fluoro-4-methoxypyrrolo[2,1-f][1,2,4]triazin-2-amine
CID 176803733
N-(3-ethylcyclobutyl)-6-fluoro-4-methoxy-5-([1,2,4]triazolo[1,5-a]pyridin-6-yl)pyrrolo[2,1-f][1,2,4]triazin-2-amine
CID 170642881
4-[[5-[4-diazenyl-3-[[(2S)-2-fluoropropyl]amino]phenyl]-6-fluoro-4-methoxypyrrolo[2,1-f][1,2,4]triazin-2-yl]amino]-1-methylcyclohexan-1-ol
CID 177156778
N-(3,3-difluoro-1-methylpiperidin-4-yl)-6-fluoro-5-imidazo[1,2-a]pyrimidin-6-yl-4-methoxypyrrolo[2,1-f][1,2,4]triazin-2-amine
CID 170657264
N-[(4R)-3,3-difluoro-1-methylpiperidin-4-yl]-6-fluoro-5-imidazo[1,2-a]pyrimidin-6-yl-4-methoxypyrrolo[2,1-f][1,2,4]triazin-2-amine
CID 170642342
5-[4-diazenyl-3-(2-fluoroethylamino)phenyl]-6-fluoro-4-methoxy-N-[1-(oxetan-3-yl)piperidin-4-yl]pyrrolo[2,1-f][1,2,4]triazin-2-amine
CID 177156333

Frequently Asked Questions

What is the IUPAC name of 6-[2-(cyclohexylamino)-6-fluoro-4-methoxypyrrolo[2,1-f][1,2,4]triazin-5-yl]-8-fluoro-N-methylimidazo[1,2-a]pyridine-3-carboxamide?
The IUPAC name of 6-[2-(cyclohexylamino)-6-fluoro-4-methoxypyrrolo[2,1-f][1,2,4]triazin-5-yl]-8-fluoro-N-methylimidazo[1,2-a]pyridine-3-carboxamide (CID 170642954) is 6-[2-(cyclohexylamino)-6-fluoro-4-methoxypyrrolo[2,1-f][1,2,4]triazin-5-yl]-8-fluoro-N-methylimidazo[1,2-a]pyridine-3-carboxamide.
What is the SMILES notation for 6-[2-(cyclohexylamino)-6-fluoro-4-methoxypyrrolo[2,1-f][1,2,4]triazin-5-yl]-8-fluoro-N-methylimidazo[1,2-a]pyridine-3-carboxamide?
The canonical SMILES for 6-[2-(cyclohexylamino)-6-fluoro-4-methoxypyrrolo[2,1-f][1,2,4]triazin-5-yl]-8-fluoro-N-methylimidazo[1,2-a]pyridine-3-carboxamide is CNC(=O)c1cnc2c(F)cc(-c3c(F)cn4nc(NC5CCCCC5)nc(OC)c34)cn12.
What is the InChIKey of 6-[2-(cyclohexylamino)-6-fluoro-4-methoxypyrrolo[2,1-f][1,2,4]triazin-5-yl]-8-fluoro-N-methylimidazo[1,2-a]pyridine-3-carboxamide?
The InChIKey is GVIIWXLIRPSGBH-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H23F2N7O2/c1-25-20(32)16-9-26-19-14(23)8-12(10-30(16)19)17-15(24)11-31-18(17)21(33-2)28-22(29-31)27-13-6-4-3-5-7-13/h8-11,13H,3-7H2,1-2H3,(H,25,32)(H,27,29).
What are the key properties of 6-[2-(cyclohexylamino)-6-fluoro-4-methoxypyrrolo[2,1-f][1,2,4]triazin-5-yl]-8-fluoro-N-methylimidazo[1,2-a]pyridine-3-carboxamide?
6-[2-(cyclohexylamino)-6-fluoro-4-methoxypyrrolo[2,1-f][1,2,4]triazin-5-yl]-8-fluoro-N-methylimidazo[1,2-a]pyridine-3-carboxamide has a molecular weight of 455.47 g/mol, XLogP of 3.43, 5 rotatable bonds, 2 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for 6-[2-(cyclohexylamino)-6-fluoro-4-methoxypyrrolo[2,1-f][1,2,4]triazin-5-yl]-8-fluoro-N-methylimidazo[1,2-a]pyridine-3-carboxamide is sourced from PubChem (CID 170642954), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).