(2S)-N-[2-(3-fluorophenyl)-7-methylimidazo[1,2-a]pyridin-3-yl]-2-phenylbutanamide

C24H22FN3O — CID 93016914

IUPAC(2S)-N-[2-(3-fluorophenyl)-7-methylimidazo[1,2-a]pyridin-3-yl]-2-phenylbutanamide
SMILESCC[C@H](C(=O)Nc1c(-c2cccc(F)c2)nc2cc(C)ccn12)c1ccccc1
InChIInChI=1S/C24H22FN3O/c1-3-20(17-8-5-4-6-9-17)24(29)27-23-22(18-10-7-11-19(25)15-18)26-21-14-16(2)12-13-28(21)23/h4-15,20H,3H2,1-2H3,(H,27,29)/t20-/m0/s1
InChIKeyMVXVXTPKOYZKJD-FQEVSTJZSA-N
MW387.46 g/mol
LogP5.58
Rot. Bonds5

About (2S)-N-[2-(3-fluorophenyl)-7-methylimidazo[1,2-a]pyridin-3-yl]-2-phenylbutanamide

(2S)-N-[2-(3-fluorophenyl)-7-methylimidazo[1,2-a]pyridin-3-yl]-2-phenylbutanamide (PubChem CID 93016914) has the molecular formula C24H22FN3O and a molecular weight of 387.46 g/mol. Its IUPAC name is (2S)-N-[2-(3-fluorophenyl)-7-methylimidazo[1,2-a]pyridin-3-yl]-2-phenylbutanamide.

Molecular Properties

Compound Name(2S)-N-[2-(3-fluorophenyl)-7-methylimidazo[1,2-a]pyridin-3-yl]-2-phenylbutanamide
PubChem CID93016914
Molecular FormulaC24H22FN3O
Molecular Weight387.46 g/mol
Exact Mass387.17
IUPAC Name(2S)-N-[2-(3-fluorophenyl)-7-methylimidazo[1,2-a]pyridin-3-yl]-2-phenylbutanamide
SMILESCC[C@H](C(=O)Nc1c(-c2cccc(F)c2)nc2cc(C)ccn12)c1ccccc1
InChIInChI=1S/C24H22FN3O/c1-3-20(17-8-5-4-6-9-17)24(29)27-23-22(18-10-7-11-19(25)15-18)26-21-14-16(2)12-13-28(21)23/h4-15,20H,3H2,1-2H3,(H,27,29)/t20-/m0/s1
InChIKeyMVXVXTPKOYZKJD-FQEVSTJZSA-N
XLogP5.58
TPSA46.40 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms29
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500387.46
LogP ≤ 55.58
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

N-[2-(4-methylphenyl)imidazo[1,2-a]pyridin-3-yl]-2-phenylbutanamide
CID 42694065
N-[2-(3-fluorophenyl)-7-methylimidazo[1,2-a]pyridin-3-yl]-2-(4-methoxyphenyl)acetamide
CID 42694497
N-[2-(3-fluorophenyl)imidazo[1,2-a]pyridin-3-yl]-2-methylpropanamide
CID 42694469
(2R)-N-[2-(4-methoxyphenyl)imidazo[1,2-a]pyridin-3-yl]-2-phenylbutanamide
CID 93016839
2-ethyl-N-[2-(4-fluorophenyl)-7-methylimidazo[1,2-a]pyridin-3-yl]hexanamide
CID 42694164
3-bromo-N-(7-methyl-2-phenylimidazo[1,2-a]pyridin-3-yl)benzamide
CID 2887934
(2S)-N-[5-cyclopropyl-3-(3-fluorophenyl)-1H-pyrazol-4-yl]-2-phenylbutanamide
CID 93005130
N-[5-cyclopropyl-3-(3-fluorophenyl)-1H-pyrazol-4-yl]-2-phenylbutanamide
CID 42686286
ethyl 2-[(7-methyl-2-phenylimidazo[1,2-a]pyridin-3-yl)amino]acetate
CID 808590
(2R)-N-[3-(3-fluorophenyl)-5-propyl-1H-pyrazol-4-yl]-2-phenylbutanamide
CID 93005134
N-(7-methyl-2-phenylimidazo[1,2-a]pyridin-3-yl)pyridine-2-carboxamide
CID 17417375
N-(7-methyl-2-phenylimidazo[1,2-a]pyridin-3-yl)-2-phenoxyacetamide
CID 3351755

Frequently Asked Questions

What is the IUPAC name of (2S)-N-[2-(3-fluorophenyl)-7-methylimidazo[1,2-a]pyridin-3-yl]-2-phenylbutanamide?
The IUPAC name of (2S)-N-[2-(3-fluorophenyl)-7-methylimidazo[1,2-a]pyridin-3-yl]-2-phenylbutanamide (CID 93016914) is (2S)-N-[2-(3-fluorophenyl)-7-methylimidazo[1,2-a]pyridin-3-yl]-2-phenylbutanamide.
What is the SMILES notation for (2S)-N-[2-(3-fluorophenyl)-7-methylimidazo[1,2-a]pyridin-3-yl]-2-phenylbutanamide?
The canonical SMILES for (2S)-N-[2-(3-fluorophenyl)-7-methylimidazo[1,2-a]pyridin-3-yl]-2-phenylbutanamide is CC[C@H](C(=O)Nc1c(-c2cccc(F)c2)nc2cc(C)ccn12)c1ccccc1.
What is the InChIKey of (2S)-N-[2-(3-fluorophenyl)-7-methylimidazo[1,2-a]pyridin-3-yl]-2-phenylbutanamide?
The InChIKey is MVXVXTPKOYZKJD-FQEVSTJZSA-N. The full InChI is InChI=1S/C24H22FN3O/c1-3-20(17-8-5-4-6-9-17)24(29)27-23-22(18-10-7-11-19(25)15-18)26-21-14-16(2)12-13-28(21)23/h4-15,20H,3H2,1-2H3,(H,27,29)/t20-/m0/s1.
What are the key properties of (2S)-N-[2-(3-fluorophenyl)-7-methylimidazo[1,2-a]pyridin-3-yl]-2-phenylbutanamide?
(2S)-N-[2-(3-fluorophenyl)-7-methylimidazo[1,2-a]pyridin-3-yl]-2-phenylbutanamide has a molecular weight of 387.46 g/mol, XLogP of 5.58, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (2S)-N-[2-(3-fluorophenyl)-7-methylimidazo[1,2-a]pyridin-3-yl]-2-phenylbutanamide is sourced from PubChem (CID 93016914), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).