trans-(1R,2R)-N-[2-(3,5-dimethylphenyl)imidazo[1,2-a]pyridin-3-yl]-2-phenylcyclopropane-1-carboxamide

C25H23N3O — CID 93017101

IUPACtrans-(1R,2R)-N-[2-(3,5-dimethylphenyl)imidazo[1,2-a]pyridin-3-yl]-2-phenylcyclopropane-1-carboxamide
SMILESCc1cc(C)cc(-c2nc3ccccn3c2NC(=O)[C@@H]2C[C@H]2c2ccccc2)c1
InChIInChI=1S/C25H23N3O/c1-16-12-17(2)14-19(13-16)23-24(28-11-7-6-10-22(28)26-23)27-25(29)21-15-20(21)18-8-4-3-5-9-18/h3-14,20-21H,15H2,1-2H3,(H,27,29)/t20-,21+/m0/s1
InChIKeyJXGDRWXKXDGKTI-LEWJYISDSA-N
MW381.48 g/mol
LogP5.36
Rot. Bonds4

About trans-(1R,2R)-N-[2-(3,5-dimethylphenyl)imidazo[1,2-a]pyridin-3-yl]-2-phenylcyclopropane-1-carboxamide

trans-(1R,2R)-N-[2-(3,5-dimethylphenyl)imidazo[1,2-a]pyridin-3-yl]-2-phenylcyclopropane-1-carboxamide (PubChem CID 93017101) has the molecular formula C25H23N3O and a molecular weight of 381.48 g/mol. Its IUPAC name is trans-(1R,2R)-N-[2-(3,5-dimethylphenyl)imidazo[1,2-a]pyridin-3-yl]-2-phenylcyclopropane-1-carboxamide.

Molecular Properties

Compound Nametrans-(1R,2R)-N-[2-(3,5-dimethylphenyl)imidazo[1,2-a]pyridin-3-yl]-2-phenylcyclopropane-1-carboxamide
PubChem CID93017101
Molecular FormulaC25H23N3O
Molecular Weight381.48 g/mol
Exact Mass381.18
IUPAC Nametrans-(1R,2R)-N-[2-(3,5-dimethylphenyl)imidazo[1,2-a]pyridin-3-yl]-2-phenylcyclopropane-1-carboxamide
SMILESCc1cc(C)cc(-c2nc3ccccn3c2NC(=O)[C@@H]2C[C@H]2c2ccccc2)c1
InChIInChI=1S/C25H23N3O/c1-16-12-17(2)14-19(13-16)23-24(28-11-7-6-10-22(28)26-23)27-25(29)21-15-20(21)18-8-4-3-5-9-18/h3-14,20-21H,15H2,1-2H3,(H,27,29)/t20-,21+/m0/s1
InChIKeyJXGDRWXKXDGKTI-LEWJYISDSA-N
XLogP5.36
TPSA46.40 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms29
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500381.48
LogP ≤ 55.36
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

cis-(1S,2R)-N-[2-(3,5-dimethylphenyl)-7-methylimidazo[1,2-a]pyridin-3-yl]-2-phenylcyclopropane-1-carboxamide
CID 93017110
N-[2-(3,5-dimethylphenyl)imidazo[1,2-a]pyridin-3-yl]-3-methylbutanamide
CID 42881791
N-[2-(4-methylphenyl)imidazo[1,2-a]pyridin-3-yl]cyclobutanecarboxamide
CID 42694066
trans-(1R,2R)-N-(2-methyl-7-phenylpyrazolo[1,5-a]pyrimidin-5-yl)-2-phenylcyclopropane-1-carboxamide
CID 67064043
1-(4-methylphenyl)-3-(2-phenylimidazo[1,2-a]pyridin-3-yl)urea
CID 4825752
1-cyclopentyl-3-[2-(4-methylphenyl)imidazo[1,2-a]pyridin-3-yl]urea
CID 50847510
1-(2,4-dimethylphenyl)sulfonyl-N-(2-phenylimidazo[1,2-a]pyridin-3-yl)piperidine-4-carboxamide
CID 55387795
N-(7-methyl-2-phenylimidazo[1,2-a]pyridin-3-yl)cyclohexanecarboxamide
CID 40656282
N-[2-(4-chlorophenyl)imidazo[1,2-a]pyridin-3-yl]cyclobutanecarboxamide
CID 42693744
1-(3,4-dimethylphenyl)-3-(2-phenylimidazo[1,2-a]pyridin-3-yl)urea
CID 50847541
(3R)-N-(2-phenylimidazo[1,2-a]pyridin-3-yl)-2,3-dihydro-1,4-benzodioxine-3-carboxamide
CID 40792448
N-[2-[4-(trifluoromethyl)phenyl]imidazo[1,2-a]pyridin-3-yl]cyclopentanecarboxamide
CID 42694207

Frequently Asked Questions

What is the IUPAC name of trans-(1R,2R)-N-[2-(3,5-dimethylphenyl)imidazo[1,2-a]pyridin-3-yl]-2-phenylcyclopropane-1-carboxamide?
The IUPAC name of trans-(1R,2R)-N-[2-(3,5-dimethylphenyl)imidazo[1,2-a]pyridin-3-yl]-2-phenylcyclopropane-1-carboxamide (CID 93017101) is trans-(1R,2R)-N-[2-(3,5-dimethylphenyl)imidazo[1,2-a]pyridin-3-yl]-2-phenylcyclopropane-1-carboxamide.
What is the SMILES notation for trans-(1R,2R)-N-[2-(3,5-dimethylphenyl)imidazo[1,2-a]pyridin-3-yl]-2-phenylcyclopropane-1-carboxamide?
The canonical SMILES for trans-(1R,2R)-N-[2-(3,5-dimethylphenyl)imidazo[1,2-a]pyridin-3-yl]-2-phenylcyclopropane-1-carboxamide is Cc1cc(C)cc(-c2nc3ccccn3c2NC(=O)[C@@H]2C[C@H]2c2ccccc2)c1.
What is the InChIKey of trans-(1R,2R)-N-[2-(3,5-dimethylphenyl)imidazo[1,2-a]pyridin-3-yl]-2-phenylcyclopropane-1-carboxamide?
The InChIKey is JXGDRWXKXDGKTI-LEWJYISDSA-N. The full InChI is InChI=1S/C25H23N3O/c1-16-12-17(2)14-19(13-16)23-24(28-11-7-6-10-22(28)26-23)27-25(29)21-15-20(21)18-8-4-3-5-9-18/h3-14,20-21H,15H2,1-2H3,(H,27,29)/t20-,21+/m0/s1.
What are the key properties of trans-(1R,2R)-N-[2-(3,5-dimethylphenyl)imidazo[1,2-a]pyridin-3-yl]-2-phenylcyclopropane-1-carboxamide?
trans-(1R,2R)-N-[2-(3,5-dimethylphenyl)imidazo[1,2-a]pyridin-3-yl]-2-phenylcyclopropane-1-carboxamide has a molecular weight of 381.48 g/mol, XLogP of 5.36, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for trans-(1R,2R)-N-[2-(3,5-dimethylphenyl)imidazo[1,2-a]pyridin-3-yl]-2-phenylcyclopropane-1-carboxamide is sourced from PubChem (CID 93017101), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).