6-[3-(cyclohexylamino)-2-(2-phenylethyl)imidazo[1,2-a]pyridin-7-yl]-3-methyl-1,4-dihydroquinazolin-2-one

C30H33N5O — CID 137410595

IUPAC6-[3-(cyclohexylamino)-2-(2-phenylethyl)imidazo[1,2-a]pyridin-7-yl]-3-methyl-1,4-dihydroquinazolin-2-one
SMILESCN1Cc2cc(-c3ccn4c(NC5CCCCC5)c(CCc5ccccc5)nc4c3)ccc2NC1=O
InChIInChI=1S/C30H33N5O/c1-34-20-24-18-22(13-15-26(24)33-30(34)36)23-16-17-35-28(19-23)32-27(14-12-21-8-4-2-5-9-21)29(35)31-25-10-6-3-7-11-25/h2,4-5,8-9,13,15-19,25,31H,3,6-7,10-12,14,20H2,1H3,(H,33,36)
InChIKeyGUDWWUZIYFALLN-UHFFFAOYSA-N
MW479.63 g/mol
LogP6.51
Rot. Bonds6

About 6-[3-(cyclohexylamino)-2-(2-phenylethyl)imidazo[1,2-a]pyridin-7-yl]-3-methyl-1,4-dihydroquinazolin-2-one

6-[3-(cyclohexylamino)-2-(2-phenylethyl)imidazo[1,2-a]pyridin-7-yl]-3-methyl-1,4-dihydroquinazolin-2-one (PubChem CID 137410595) has the molecular formula C30H33N5O and a molecular weight of 479.63 g/mol. Its IUPAC name is 6-[3-(cyclohexylamino)-2-(2-phenylethyl)imidazo[1,2-a]pyridin-7-yl]-3-methyl-1,4-dihydroquinazolin-2-one.

Molecular Properties

Compound Name6-[3-(cyclohexylamino)-2-(2-phenylethyl)imidazo[1,2-a]pyridin-7-yl]-3-methyl-1,4-dihydroquinazolin-2-one
PubChem CID137410595
Molecular FormulaC30H33N5O
Molecular Weight479.63 g/mol
Exact Mass479.27
IUPAC Name6-[3-(cyclohexylamino)-2-(2-phenylethyl)imidazo[1,2-a]pyridin-7-yl]-3-methyl-1,4-dihydroquinazolin-2-one
SMILESCN1Cc2cc(-c3ccn4c(NC5CCCCC5)c(CCc5ccccc5)nc4c3)ccc2NC1=O
InChIInChI=1S/C30H33N5O/c1-34-20-24-18-22(13-15-26(24)33-30(34)36)23-16-17-35-28(19-23)32-27(14-12-21-8-4-2-5-9-21)29(35)31-25-10-6-3-7-11-25/h2,4-5,8-9,13,15-19,25,31H,3,6-7,10-12,14,20H2,1H3,(H,33,36)
InChIKeyGUDWWUZIYFALLN-UHFFFAOYSA-N
XLogP6.51
TPSA61.67 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms36
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500479.63
LogP ≤ 56.51
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

N-cyclohexyl-7-methyl-2-(2-phenylethyl)imidazo[1,2-a]pyridin-3-amine
CID 808952
methyl 3-(cyclohexylamino)-2-(3-methyl-2-oxo-1,4-dihydroquinazolin-6-yl)imidazo[1,2-a]pyridine-7-carboxylate
CID 138535696
6-[4-[(cyclohexylamino)methoxy]-3-(methylideneamino)phenyl]-3-methyl-1,4-dihydroquinazolin-2-one
CID 143969122
6-[2-(cyclohexylamino)-1,3-benzoxazol-5-yl]-3-ethyl-1,4-dihydroquinazolin-2-one
CID 70903060
tert-butyl 2-[[7-(3,5-dimethyl-1,2-oxazol-4-yl)-2-(2-phenylethyl)imidazo[1,2-a]pyridin-3-yl]amino]acetate
CID 146588960
7-(3,5-dimethyl-1,2-oxazol-4-yl)-N-(2-morpholin-4-ylethyl)-2-(2-phenylethyl)imidazo[1,2-a]pyridin-3-amine
CID 146589043
N-[4-[2-[3-(cyclohexylamino)-7-(3,5-dimethyl-1,2-oxazol-4-yl)imidazo[1,2-a]pyridin-2-yl]ethyl]phenyl]-3-[2-[2-[2-[[2-(2,6-dioxopiperidin-3-yl)-1,3-dioxoisoindol-4-yl]amino]ethoxy]ethoxy]ethoxy]propanamide
CID 164835729
N-[4-[2-[3-(cyclohexylamino)-7-(3,5-dimethyl-1,2-oxazol-4-yl)imidazo[1,2-a]pyridin-2-yl]ethyl]phenyl]-8-[[2-(2,4-dioxocyclohexyl)-1,3-dioxoisoindol-4-yl]amino]octanamide
CID 167660724
N-cyclohexyl-2-[4-[3-(cyclohexylamino)imidazo[1,2-a]pyridin-2-yl]phenyl]imidazo[1,2-a]pyridin-3-amine
CID 139222504
2-[[6-bromo-3-(cyclohexylamino)imidazo[1,2-a]pyridin-2-yl]methyl]isoindole-1,3-dione
CID 4130144
[2-[3-(cyclohexylamino)-7-methylimidazo[1,2-a]pyridin-2-yl]phenyl] phenylmethanesulfonate
CID 3557743
N-benzyl-2-(2-phenylethyl)imidazo[1,2-a]pyridin-3-amine
CID 808661

Frequently Asked Questions

What is the IUPAC name of 6-[3-(cyclohexylamino)-2-(2-phenylethyl)imidazo[1,2-a]pyridin-7-yl]-3-methyl-1,4-dihydroquinazolin-2-one?
The IUPAC name of 6-[3-(cyclohexylamino)-2-(2-phenylethyl)imidazo[1,2-a]pyridin-7-yl]-3-methyl-1,4-dihydroquinazolin-2-one (CID 137410595) is 6-[3-(cyclohexylamino)-2-(2-phenylethyl)imidazo[1,2-a]pyridin-7-yl]-3-methyl-1,4-dihydroquinazolin-2-one.
What is the SMILES notation for 6-[3-(cyclohexylamino)-2-(2-phenylethyl)imidazo[1,2-a]pyridin-7-yl]-3-methyl-1,4-dihydroquinazolin-2-one?
The canonical SMILES for 6-[3-(cyclohexylamino)-2-(2-phenylethyl)imidazo[1,2-a]pyridin-7-yl]-3-methyl-1,4-dihydroquinazolin-2-one is CN1Cc2cc(-c3ccn4c(NC5CCCCC5)c(CCc5ccccc5)nc4c3)ccc2NC1=O.
What is the InChIKey of 6-[3-(cyclohexylamino)-2-(2-phenylethyl)imidazo[1,2-a]pyridin-7-yl]-3-methyl-1,4-dihydroquinazolin-2-one?
The InChIKey is GUDWWUZIYFALLN-UHFFFAOYSA-N. The full InChI is InChI=1S/C30H33N5O/c1-34-20-24-18-22(13-15-26(24)33-30(34)36)23-16-17-35-28(19-23)32-27(14-12-21-8-4-2-5-9-21)29(35)31-25-10-6-3-7-11-25/h2,4-5,8-9,13,15-19,25,31H,3,6-7,10-12,14,20H2,1H3,(H,33,36).
What are the key properties of 6-[3-(cyclohexylamino)-2-(2-phenylethyl)imidazo[1,2-a]pyridin-7-yl]-3-methyl-1,4-dihydroquinazolin-2-one?
6-[3-(cyclohexylamino)-2-(2-phenylethyl)imidazo[1,2-a]pyridin-7-yl]-3-methyl-1,4-dihydroquinazolin-2-one has a molecular weight of 479.63 g/mol, XLogP of 6.51, 6 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 6-[3-(cyclohexylamino)-2-(2-phenylethyl)imidazo[1,2-a]pyridin-7-yl]-3-methyl-1,4-dihydroquinazolin-2-one is sourced from PubChem (CID 137410595), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).