N-(1,2-diphenylethyl)-6-(3-methoxyphenyl)-5,6,7,8-tetrahydroimidazo[1,2-a]pyridine-2-carboxamide

C29H29N3O2 — CID 46081011

IUPACN-(1,2-diphenylethyl)-6-(3-methoxyphenyl)-5,6,7,8-tetrahydroimidazo[1,2-a]pyridine-2-carboxamide
SMILESCOc1cccc(C2CCc3nc(C(=O)NC(Cc4ccccc4)c4ccccc4)cn3C2)c1
InChIInChI=1S/C29H29N3O2/c1-34-25-14-8-13-23(18-25)24-15-16-28-30-27(20-32(28)19-24)29(33)31-26(22-11-6-3-7-12-22)17-21-9-4-2-5-10-21/h2-14,18,20,24,26H,15-17,19H2,1H3,(H,31,33)
InChIKeyWCPRDWMFROPPSN-UHFFFAOYSA-N
MW451.57 g/mol
LogP5.34
Rot. Bonds7

About N-(1,2-diphenylethyl)-6-(3-methoxyphenyl)-5,6,7,8-tetrahydroimidazo[1,2-a]pyridine-2-carboxamide

N-(1,2-diphenylethyl)-6-(3-methoxyphenyl)-5,6,7,8-tetrahydroimidazo[1,2-a]pyridine-2-carboxamide (PubChem CID 46081011) has the molecular formula C29H29N3O2 and a molecular weight of 451.57 g/mol. Its IUPAC name is N-(1,2-diphenylethyl)-6-(3-methoxyphenyl)-5,6,7,8-tetrahydroimidazo[1,2-a]pyridine-2-carboxamide.

Molecular Properties

Compound NameN-(1,2-diphenylethyl)-6-(3-methoxyphenyl)-5,6,7,8-tetrahydroimidazo[1,2-a]pyridine-2-carboxamide
PubChem CID46081011
Molecular FormulaC29H29N3O2
Molecular Weight451.57 g/mol
Exact Mass451.23
IUPAC NameN-(1,2-diphenylethyl)-6-(3-methoxyphenyl)-5,6,7,8-tetrahydroimidazo[1,2-a]pyridine-2-carboxamide
SMILESCOc1cccc(C2CCc3nc(C(=O)NC(Cc4ccccc4)c4ccccc4)cn3C2)c1
InChIInChI=1S/C29H29N3O2/c1-34-25-14-8-13-23(18-25)24-15-16-28-30-27(20-32(28)19-24)29(33)31-26(22-11-6-3-7-12-22)17-21-9-4-2-5-10-21/h2-14,18,20,24,26H,15-17,19H2,1H3,(H,31,33)
InChIKeyWCPRDWMFROPPSN-UHFFFAOYSA-N
XLogP5.34
TPSA56.15 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms34
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500451.57
LogP ≤ 55.34
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

(6R)-N-[(1S)-1,2-diphenylethyl]-6-(3-fluorophenyl)-5,6,7,8-tetrahydroimidazo[1,2-a]pyridine-2-carboxamide
CID 93012989
(6S)-N-[(1R)-1,2-diphenylethyl]-6-(4-fluorophenyl)-5,6,7,8-tetrahydroimidazo[1,2-a]pyridine-2-carboxamide
CID 93012968
6-(4-phenoxyphenyl)-N-propan-2-yl-5,6,7,8-tetrahydroimidazo[1,2-a]pyridine-2-carboxamide
CID 46081037
(6S)-N-[(2R)-butan-2-yl]-6-[3-(trifluoromethyl)phenyl]-5,6,7,8-tetrahydroimidazo[1,2-a]pyridine-2-carboxamide
CID 93013088
6-(3-methylphenyl)-N-propyl-5,6,7,8-tetrahydroimidazo[1,2-a]pyridine-2-carboxamide
CID 46080946
(6R)-N-[(4-fluorophenyl)methyl]-6-phenyl-5,6,7,8-tetrahydroimidazo[1,2-a]pyridine-2-carboxamide
CID 93009766
6-(4-ethylphenyl)-N-(3-methylbutan-2-yl)-5,6,7,8-tetrahydroimidazo[1,2-a]pyridine-2-carboxamide
CID 42878707
N-[(4-fluorophenyl)methyl]-6-(4-phenoxyphenyl)-5,6,7,8-tetrahydroimidazo[1,2-a]pyridine-2-carboxamide
CID 46081047
N-(1,2-diphenylethyl)-2-(3-methoxyphenyl)quinoline-4-carboxamide
CID 42749565
N-[2-(3-methoxyphenyl)-1-(4-methoxyphenyl)ethyl]-2-phenylacetamide
CID 143753176
N-[(1S)-1,2-bis(4-methoxyphenyl)ethyl]imidazo[1,2-a]pyridine-2-carboxamide
CID 40972028
(6R)-N-(furan-2-ylmethyl)-6-phenyl-5,6,7,8-tetrahydroimidazo[1,2-a]pyridine-2-carboxamide
CID 93009686

Frequently Asked Questions

What is the IUPAC name of N-(1,2-diphenylethyl)-6-(3-methoxyphenyl)-5,6,7,8-tetrahydroimidazo[1,2-a]pyridine-2-carboxamide?
The IUPAC name of N-(1,2-diphenylethyl)-6-(3-methoxyphenyl)-5,6,7,8-tetrahydroimidazo[1,2-a]pyridine-2-carboxamide (CID 46081011) is N-(1,2-diphenylethyl)-6-(3-methoxyphenyl)-5,6,7,8-tetrahydroimidazo[1,2-a]pyridine-2-carboxamide.
What is the SMILES notation for N-(1,2-diphenylethyl)-6-(3-methoxyphenyl)-5,6,7,8-tetrahydroimidazo[1,2-a]pyridine-2-carboxamide?
The canonical SMILES for N-(1,2-diphenylethyl)-6-(3-methoxyphenyl)-5,6,7,8-tetrahydroimidazo[1,2-a]pyridine-2-carboxamide is COc1cccc(C2CCc3nc(C(=O)NC(Cc4ccccc4)c4ccccc4)cn3C2)c1.
What is the InChIKey of N-(1,2-diphenylethyl)-6-(3-methoxyphenyl)-5,6,7,8-tetrahydroimidazo[1,2-a]pyridine-2-carboxamide?
The InChIKey is WCPRDWMFROPPSN-UHFFFAOYSA-N. The full InChI is InChI=1S/C29H29N3O2/c1-34-25-14-8-13-23(18-25)24-15-16-28-30-27(20-32(28)19-24)29(33)31-26(22-11-6-3-7-12-22)17-21-9-4-2-5-10-21/h2-14,18,20,24,26H,15-17,19H2,1H3,(H,31,33).
What are the key properties of N-(1,2-diphenylethyl)-6-(3-methoxyphenyl)-5,6,7,8-tetrahydroimidazo[1,2-a]pyridine-2-carboxamide?
N-(1,2-diphenylethyl)-6-(3-methoxyphenyl)-5,6,7,8-tetrahydroimidazo[1,2-a]pyridine-2-carboxamide has a molecular weight of 451.57 g/mol, XLogP of 5.34, 7 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-(1,2-diphenylethyl)-6-(3-methoxyphenyl)-5,6,7,8-tetrahydroimidazo[1,2-a]pyridine-2-carboxamide is sourced from PubChem (CID 46081011), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).