(3S)-3-methyl-N-[(6S)-2-methyl-5,6,7,8-tetrahydroimidazo[1,2-a]pyridin-6-yl]-1-oxo-4H-isochromene-3-carboxamide

C19H21N3O3 — CID 95765799

IUPAC(3S)-3-methyl-N-[(6S)-2-methyl-5,6,7,8-tetrahydroimidazo[1,2-a]pyridin-6-yl]-1-oxo-4H-isochromene-3-carboxamide
SMILESCc1cn2c(n1)CC[C@H](NC(=O)[C@]1(C)Cc3ccccc3C(=O)O1)C2
InChIInChI=1S/C19H21N3O3/c1-12-10-22-11-14(7-8-16(22)20-12)21-18(24)19(2)9-13-5-3-4-6-15(13)17(23)25-19/h3-6,10,14H,7-9,11H2,1-2H3,(H,21,24)/t14-,19-/m0/s1
InChIKeyIFNQYPOVBYMEIH-LIRRHRJNSA-N
MW339.40 g/mol
LogP1.79
Rot. Bonds2

About (3S)-3-methyl-N-[(6S)-2-methyl-5,6,7,8-tetrahydroimidazo[1,2-a]pyridin-6-yl]-1-oxo-4H-isochromene-3-carboxamide

(3S)-3-methyl-N-[(6S)-2-methyl-5,6,7,8-tetrahydroimidazo[1,2-a]pyridin-6-yl]-1-oxo-4H-isochromene-3-carboxamide (PubChem CID 95765799) has the molecular formula C19H21N3O3 and a molecular weight of 339.40 g/mol. Its IUPAC name is (3S)-3-methyl-N-[(6S)-2-methyl-5,6,7,8-tetrahydroimidazo[1,2-a]pyridin-6-yl]-1-oxo-4H-isochromene-3-carboxamide.

Molecular Properties

Compound Name(3S)-3-methyl-N-[(6S)-2-methyl-5,6,7,8-tetrahydroimidazo[1,2-a]pyridin-6-yl]-1-oxo-4H-isochromene-3-carboxamide
PubChem CID95765799
Molecular FormulaC19H21N3O3
Molecular Weight339.40 g/mol
Exact Mass339.16
IUPAC Name(3S)-3-methyl-N-[(6S)-2-methyl-5,6,7,8-tetrahydroimidazo[1,2-a]pyridin-6-yl]-1-oxo-4H-isochromene-3-carboxamide
SMILESCc1cn2c(n1)CC[C@H](NC(=O)[C@]1(C)Cc3ccccc3C(=O)O1)C2
InChIInChI=1S/C19H21N3O3/c1-12-10-22-11-14(7-8-16(22)20-12)21-18(24)19(2)9-13-5-3-4-6-15(13)17(23)25-19/h3-6,10,14H,7-9,11H2,1-2H3,(H,21,24)/t14-,19-/m0/s1
InChIKeyIFNQYPOVBYMEIH-LIRRHRJNSA-N
XLogP1.79
TPSA73.22 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds2
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500339.40
LogP ≤ 51.79
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Analyze (3S)-3-methyl-N-[(6S)-2-methyl-5,6,7,8-tetrahydroimidazo[1,2-a]pyridin-6-yl]-1-oxo-4H-isochromene-3-carboxamide with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

(2R)-N-[(6S)-2-methyl-5,6,7,8-tetrahydroimidazo[1,2-a]pyridin-6-yl]-2,3-dihydro-1-benzofuran-2-carboxamide
CID 95765845
N-(2-methyl-5,6,7,8-tetrahydroimidazo[1,2-a]pyridin-6-yl)-2-thiophen-2-ylacetamide
CID 86772548
(2S)-2-(3,4-dihydro-1H-isoquinolin-2-yl)-N-[(6R)-2-methyl-5,6,7,8-tetrahydroimidazo[1,2-a]pyridin-6-yl]propanamide
CID 95765302
(2S)-2-methoxy-N-[(6R)-2-methyl-5,6,7,8-tetrahydroimidazo[1,2-a]pyridin-6-yl]-2-phenylacetamide
CID 95765920
(2R)-7-fluoro-N-[(6S)-2-methyl-5,6,7,8-tetrahydroimidazo[1,2-a]pyridin-6-yl]-2,3-dihydro-1-benzofuran-2-carboxamide
CID 95777193
N-(2-methyl-5,6,7,8-tetrahydroimidazo[1,2-a]pyridin-6-yl)-2-(3-oxo-1,4-benzoxazin-4-yl)acetamide
CID 86772537
(2R)-N-[(6R)-2-methyl-5,6,7,8-tetrahydroimidazo[1,2-a]pyridin-6-yl]-2-thiophen-2-ylpropanamide
CID 95773674
2,3-dimethyl-N-[(6R)-2-methyl-5,6,7,8-tetrahydroimidazo[1,2-a]pyridin-6-yl]benzamide
CID 95765797
(2S)-2-[(2S,6S)-2,6-dimethylmorpholin-4-yl]-3-methyl-N-[(6S)-2-methyl-5,6,7,8-tetrahydroimidazo[1,2-a]pyridin-6-yl]butanamide
CID 129448698
(2R)-2-methoxy-N-[(6S)-2-methyl-5,6,7,8-tetrahydroimidazo[1,2-a]pyridin-6-yl]-2-phenylpropanamide
CID 95760029
(2S)-2-methoxy-N-[(6S)-2-methyl-5,6,7,8-tetrahydroimidazo[1,2-a]pyridin-6-yl]propanamide
CID 95765991
1-(3-fluorophenyl)-N-(2-methyl-5,6,7,8-tetrahydroimidazo[1,2-a]pyridin-6-yl)cyclobutane-1-carboxamide
CID 86772641

Frequently Asked Questions

What is the IUPAC name of (3S)-3-methyl-N-[(6S)-2-methyl-5,6,7,8-tetrahydroimidazo[1,2-a]pyridin-6-yl]-1-oxo-4H-isochromene-3-carboxamide?
The IUPAC name of (3S)-3-methyl-N-[(6S)-2-methyl-5,6,7,8-tetrahydroimidazo[1,2-a]pyridin-6-yl]-1-oxo-4H-isochromene-3-carboxamide (CID 95765799) is (3S)-3-methyl-N-[(6S)-2-methyl-5,6,7,8-tetrahydroimidazo[1,2-a]pyridin-6-yl]-1-oxo-4H-isochromene-3-carboxamide.
What is the SMILES notation for (3S)-3-methyl-N-[(6S)-2-methyl-5,6,7,8-tetrahydroimidazo[1,2-a]pyridin-6-yl]-1-oxo-4H-isochromene-3-carboxamide?
The canonical SMILES for (3S)-3-methyl-N-[(6S)-2-methyl-5,6,7,8-tetrahydroimidazo[1,2-a]pyridin-6-yl]-1-oxo-4H-isochromene-3-carboxamide is Cc1cn2c(n1)CC[C@H](NC(=O)[C@]1(C)Cc3ccccc3C(=O)O1)C2.
What is the InChIKey of (3S)-3-methyl-N-[(6S)-2-methyl-5,6,7,8-tetrahydroimidazo[1,2-a]pyridin-6-yl]-1-oxo-4H-isochromene-3-carboxamide?
The InChIKey is IFNQYPOVBYMEIH-LIRRHRJNSA-N. The full InChI is InChI=1S/C19H21N3O3/c1-12-10-22-11-14(7-8-16(22)20-12)21-18(24)19(2)9-13-5-3-4-6-15(13)17(23)25-19/h3-6,10,14H,7-9,11H2,1-2H3,(H,21,24)/t14-,19-/m0/s1.
What are the key properties of (3S)-3-methyl-N-[(6S)-2-methyl-5,6,7,8-tetrahydroimidazo[1,2-a]pyridin-6-yl]-1-oxo-4H-isochromene-3-carboxamide?
(3S)-3-methyl-N-[(6S)-2-methyl-5,6,7,8-tetrahydroimidazo[1,2-a]pyridin-6-yl]-1-oxo-4H-isochromene-3-carboxamide has a molecular weight of 339.40 g/mol, XLogP of 1.79, 2 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for (3S)-3-methyl-N-[(6S)-2-methyl-5,6,7,8-tetrahydroimidazo[1,2-a]pyridin-6-yl]-1-oxo-4H-isochromene-3-carboxamide is sourced from PubChem (CID 95765799), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).