2-[8-(4-fluoro-2-methylphenyl)-5,6,7,8-tetrahydroimidazo[1,2-a]pyridin-2-yl]-4-methoxy-1H-indole-5-carbonitrile

C24H21FN4O — CID 90174377

IUPAC2-[8-(4-fluoro-2-methylphenyl)-5,6,7,8-tetrahydroimidazo[1,2-a]pyridin-2-yl]-4-methoxy-1H-indole-5-carbonitrile
SMILESCOc1c(C#N)ccc2[nH]c(-c3cn4c(n3)C(c3ccc(F)cc3C)CCC4)cc12
InChIInChI=1S/C24H21FN4O/c1-14-10-16(25)6-7-17(14)18-4-3-9-29-13-22(28-24(18)29)21-11-19-20(27-21)8-5-15(12-26)23(19)30-2/h5-8,10-11,13,18,27H,3-4,9H2,1-2H3
InChIKeyUWBHYFPDKTVLBC-UHFFFAOYSA-N
MW400.46 g/mol
LogP5.28
Rot. Bonds3

About 2-[8-(4-fluoro-2-methylphenyl)-5,6,7,8-tetrahydroimidazo[1,2-a]pyridin-2-yl]-4-methoxy-1H-indole-5-carbonitrile

2-[8-(4-fluoro-2-methylphenyl)-5,6,7,8-tetrahydroimidazo[1,2-a]pyridin-2-yl]-4-methoxy-1H-indole-5-carbonitrile (PubChem CID 90174377) has the molecular formula C24H21FN4O and a molecular weight of 400.46 g/mol. Its IUPAC name is 2-[8-(4-fluoro-2-methylphenyl)-5,6,7,8-tetrahydroimidazo[1,2-a]pyridin-2-yl]-4-methoxy-1H-indole-5-carbonitrile.

Molecular Properties

Compound Name2-[8-(4-fluoro-2-methylphenyl)-5,6,7,8-tetrahydroimidazo[1,2-a]pyridin-2-yl]-4-methoxy-1H-indole-5-carbonitrile
PubChem CID90174377
Molecular FormulaC24H21FN4O
Molecular Weight400.46 g/mol
Exact Mass400.17
IUPAC Name2-[8-(4-fluoro-2-methylphenyl)-5,6,7,8-tetrahydroimidazo[1,2-a]pyridin-2-yl]-4-methoxy-1H-indole-5-carbonitrile
SMILESCOc1c(C#N)ccc2[nH]c(-c3cn4c(n3)C(c3ccc(F)cc3C)CCC4)cc12
InChIInChI=1S/C24H21FN4O/c1-14-10-16(25)6-7-17(14)18-4-3-9-29-13-22(28-24(18)29)21-11-19-20(27-21)8-5-15(12-26)23(19)30-2/h5-8,10-11,13,18,27H,3-4,9H2,1-2H3
InChIKeyUWBHYFPDKTVLBC-UHFFFAOYSA-N
XLogP5.28
TPSA66.63 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms30
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500400.46
LogP ≤ 55.28
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Analyze 2-[8-(4-fluoro-2-methylphenyl)-5,6,7,8-tetrahydroimidazo[1,2-a]pyridin-2-yl]-4-methoxy-1H-indole-5-carbonitrile with MolForge

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Related Compounds

Raf265
CID 11656518
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9-methoxy-4-(3-methylpiperidin-1-yl)-5H-pyrimido[5,4-b]indole
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9-methoxy-4-(4-methylpiperidin-1-yl)-5H-pyrimido[5,4-b]indole
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CID 12020642
N-(4-tert-butylphenyl)-1-methyl-5-[2-[5-(trifluoromethyl)-1H-imidazol-2-yl]pyridin-4-yl]oxybenzimidazol-2-amine
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Frequently Asked Questions

What is the IUPAC name of 2-[8-(4-fluoro-2-methylphenyl)-5,6,7,8-tetrahydroimidazo[1,2-a]pyridin-2-yl]-4-methoxy-1H-indole-5-carbonitrile?
The IUPAC name of 2-[8-(4-fluoro-2-methylphenyl)-5,6,7,8-tetrahydroimidazo[1,2-a]pyridin-2-yl]-4-methoxy-1H-indole-5-carbonitrile (CID 90174377) is 2-[8-(4-fluoro-2-methylphenyl)-5,6,7,8-tetrahydroimidazo[1,2-a]pyridin-2-yl]-4-methoxy-1H-indole-5-carbonitrile.
What is the SMILES notation for 2-[8-(4-fluoro-2-methylphenyl)-5,6,7,8-tetrahydroimidazo[1,2-a]pyridin-2-yl]-4-methoxy-1H-indole-5-carbonitrile?
The canonical SMILES for 2-[8-(4-fluoro-2-methylphenyl)-5,6,7,8-tetrahydroimidazo[1,2-a]pyridin-2-yl]-4-methoxy-1H-indole-5-carbonitrile is COc1c(C#N)ccc2[nH]c(-c3cn4c(n3)C(c3ccc(F)cc3C)CCC4)cc12.
What is the InChIKey of 2-[8-(4-fluoro-2-methylphenyl)-5,6,7,8-tetrahydroimidazo[1,2-a]pyridin-2-yl]-4-methoxy-1H-indole-5-carbonitrile?
The InChIKey is UWBHYFPDKTVLBC-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H21FN4O/c1-14-10-16(25)6-7-17(14)18-4-3-9-29-13-22(28-24(18)29)21-11-19-20(27-21)8-5-15(12-26)23(19)30-2/h5-8,10-11,13,18,27H,3-4,9H2,1-2H3.
What are the key properties of 2-[8-(4-fluoro-2-methylphenyl)-5,6,7,8-tetrahydroimidazo[1,2-a]pyridin-2-yl]-4-methoxy-1H-indole-5-carbonitrile?
2-[8-(4-fluoro-2-methylphenyl)-5,6,7,8-tetrahydroimidazo[1,2-a]pyridin-2-yl]-4-methoxy-1H-indole-5-carbonitrile has a molecular weight of 400.46 g/mol, XLogP of 5.28, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[8-(4-fluoro-2-methylphenyl)-5,6,7,8-tetrahydroimidazo[1,2-a]pyridin-2-yl]-4-methoxy-1H-indole-5-carbonitrile is sourced from PubChem (CID 90174377), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).