N-[(1S)-1,2-bis(4-methoxyphenyl)ethyl]imidazo[1,2-a]pyridine-2-carboxamide

C24H23N3O3 — CID 40972028

IUPACN-[(1S)-1,2-bis(4-methoxyphenyl)ethyl]imidazo[1,2-a]pyridine-2-carboxamide
SMILESCOc1ccc(C[C@H](NC(=O)c2cn3ccccc3n2)c2ccc(OC)cc2)cc1
InChIInChI=1S/C24H23N3O3/c1-29-19-10-6-17(7-11-19)15-21(18-8-12-20(30-2)13-9-18)26-24(28)22-16-27-14-4-3-5-23(27)25-22/h3-14,16,21H,15H2,1-2H3,(H,26,28)/t21-/m0/s1
InChIKeySHPPQTAHUFFJBJ-NRFANRHFSA-N
MW401.47 g/mol
LogP4.07
Rot. Bonds7

About N-[(1S)-1,2-bis(4-methoxyphenyl)ethyl]imidazo[1,2-a]pyridine-2-carboxamide

N-[(1S)-1,2-bis(4-methoxyphenyl)ethyl]imidazo[1,2-a]pyridine-2-carboxamide (PubChem CID 40972028) has the molecular formula C24H23N3O3 and a molecular weight of 401.47 g/mol. Its IUPAC name is N-[(1S)-1,2-bis(4-methoxyphenyl)ethyl]imidazo[1,2-a]pyridine-2-carboxamide.

Molecular Properties

Compound NameN-[(1S)-1,2-bis(4-methoxyphenyl)ethyl]imidazo[1,2-a]pyridine-2-carboxamide
PubChem CID40972028
Molecular FormulaC24H23N3O3
Molecular Weight401.47 g/mol
Exact Mass401.17
IUPAC NameN-[(1S)-1,2-bis(4-methoxyphenyl)ethyl]imidazo[1,2-a]pyridine-2-carboxamide
SMILESCOc1ccc(C[C@H](NC(=O)c2cn3ccccc3n2)c2ccc(OC)cc2)cc1
InChIInChI=1S/C24H23N3O3/c1-29-19-10-6-17(7-11-19)15-21(18-8-12-20(30-2)13-9-18)26-24(28)22-16-27-14-4-3-5-23(27)25-22/h3-14,16,21H,15H2,1-2H3,(H,26,28)/t21-/m0/s1
InChIKeySHPPQTAHUFFJBJ-NRFANRHFSA-N
XLogP4.07
TPSA64.86 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds7
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500401.47
LogP ≤ 54.07
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

1-[(1S)-1,2-bis(4-methoxyphenyl)ethyl]-3-[(1S)-1-([1,2,4]triazolo[4,3-a]pyridin-3-yl)ethyl]urea
CID 52511547
1-[(1R)-1,2-bis(4-methoxyphenyl)ethyl]-3-[(1S)-1-([1,2,4]triazolo[4,3-a]pyridin-3-yl)ethyl]urea
CID 52511549
N-[1,2-bis(4-methoxyphenyl)ethyl]-5-methylpyrazine-2-carboxamide
CID 46820307
N-methoxyimidazo[1,2-a]pyridine-2-carboxamide
CID 60716999
2-(imidazo[1,2-a]pyridine-2-carbonylamino)propanoic acid
CID 43170854
N-[1,2-bis(4-methoxyphenyl)ethyl]-4-chloropyridine-2-carboxamide
CID 46820321
N-[(2,5-dimethoxyphenyl)methyl]imidazo[1,2-a]pyridine-2-carboxamide
CID 87051264
N-(1-hydroxybutan-2-yl)imidazo[1,2-a]pyridine-2-carboxamide
CID 43419304
propan-2-yl 3-(4-methoxyphenyl)-3-[(7-methylimidazo[1,2-a]pyridine-2-carbonyl)amino]propanoate
CID 42920387
(2S)-2-(imidazo[1,2-a]pyridine-2-carbonylamino)-3-methylpentanoic acid
CID 61173973
N-(2-methoxyethyl)imidazo[1,2-a]pyridine-2-carboxamide
CID 51253266
2-(imidazo[1,2-a]pyridine-2-carbonylamino)pentanoic acid
CID 43630934

Frequently Asked Questions

What is the IUPAC name of N-[(1S)-1,2-bis(4-methoxyphenyl)ethyl]imidazo[1,2-a]pyridine-2-carboxamide?
The IUPAC name of N-[(1S)-1,2-bis(4-methoxyphenyl)ethyl]imidazo[1,2-a]pyridine-2-carboxamide (CID 40972028) is N-[(1S)-1,2-bis(4-methoxyphenyl)ethyl]imidazo[1,2-a]pyridine-2-carboxamide.
What is the SMILES notation for N-[(1S)-1,2-bis(4-methoxyphenyl)ethyl]imidazo[1,2-a]pyridine-2-carboxamide?
The canonical SMILES for N-[(1S)-1,2-bis(4-methoxyphenyl)ethyl]imidazo[1,2-a]pyridine-2-carboxamide is COc1ccc(C[C@H](NC(=O)c2cn3ccccc3n2)c2ccc(OC)cc2)cc1.
What is the InChIKey of N-[(1S)-1,2-bis(4-methoxyphenyl)ethyl]imidazo[1,2-a]pyridine-2-carboxamide?
The InChIKey is SHPPQTAHUFFJBJ-NRFANRHFSA-N. The full InChI is InChI=1S/C24H23N3O3/c1-29-19-10-6-17(7-11-19)15-21(18-8-12-20(30-2)13-9-18)26-24(28)22-16-27-14-4-3-5-23(27)25-22/h3-14,16,21H,15H2,1-2H3,(H,26,28)/t21-/m0/s1.
What are the key properties of N-[(1S)-1,2-bis(4-methoxyphenyl)ethyl]imidazo[1,2-a]pyridine-2-carboxamide?
N-[(1S)-1,2-bis(4-methoxyphenyl)ethyl]imidazo[1,2-a]pyridine-2-carboxamide has a molecular weight of 401.47 g/mol, XLogP of 4.07, 7 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(1S)-1,2-bis(4-methoxyphenyl)ethyl]imidazo[1,2-a]pyridine-2-carboxamide is sourced from PubChem (CID 40972028), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).