methyl (3S)-3-[(3-methyl-5,6,7,8-tetrahydroimidazo[1,5-a]pyridine-1-carbonyl)amino]-3-phenylpropanoate

C19H23N3O3 — CID 97008528

IUPACmethyl (3S)-3-[(3-methyl-5,6,7,8-tetrahydroimidazo[1,5-a]pyridine-1-carbonyl)amino]-3-phenylpropanoate
SMILESCOC(=O)C[C@H](NC(=O)c1nc(C)n2c1CCCC2)c1ccccc1
InChIInChI=1S/C19H23N3O3/c1-13-20-18(16-10-6-7-11-22(13)16)19(24)21-15(12-17(23)25-2)14-8-4-3-5-9-14/h3-5,8-9,15H,6-7,10-12H2,1-2H3,(H,21,24)/t15-/m0/s1
InChIKeyYEZVGOJMFXVSDP-HNNXBMFYSA-N
MW341.41 g/mol
LogP2.56
Rot. Bonds5

About methyl (3S)-3-[(3-methyl-5,6,7,8-tetrahydroimidazo[1,5-a]pyridine-1-carbonyl)amino]-3-phenylpropanoate

methyl (3S)-3-[(3-methyl-5,6,7,8-tetrahydroimidazo[1,5-a]pyridine-1-carbonyl)amino]-3-phenylpropanoate (PubChem CID 97008528) has the molecular formula C19H23N3O3 and a molecular weight of 341.41 g/mol. Its IUPAC name is methyl (3S)-3-[(3-methyl-5,6,7,8-tetrahydroimidazo[1,5-a]pyridine-1-carbonyl)amino]-3-phenylpropanoate.

Molecular Properties

Compound Namemethyl (3S)-3-[(3-methyl-5,6,7,8-tetrahydroimidazo[1,5-a]pyridine-1-carbonyl)amino]-3-phenylpropanoate
PubChem CID97008528
Molecular FormulaC19H23N3O3
Molecular Weight341.41 g/mol
Exact Mass341.17
IUPAC Namemethyl (3S)-3-[(3-methyl-5,6,7,8-tetrahydroimidazo[1,5-a]pyridine-1-carbonyl)amino]-3-phenylpropanoate
SMILESCOC(=O)C[C@H](NC(=O)c1nc(C)n2c1CCCC2)c1ccccc1
InChIInChI=1S/C19H23N3O3/c1-13-20-18(16-10-6-7-11-22(13)16)19(24)21-15(12-17(23)25-2)14-8-4-3-5-9-14/h3-5,8-9,15H,6-7,10-12H2,1-2H3,(H,21,24)/t15-/m0/s1
InChIKeyYEZVGOJMFXVSDP-HNNXBMFYSA-N
XLogP2.56
TPSA73.22 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500341.41
LogP ≤ 52.56
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

3-acetamido-N-[(3-methyl-5,6,7,8-tetrahydroimidazo[1,5-a]pyridin-1-yl)methyl]-3-phenylpropanamide
CID 75392325
methyl 3-[[1-(4-fluorophenyl)-5,6-dihydro-4H-cyclopenta[d]pyrazole-3-carbonyl]amino]-3-phenylpropanoate
CID 18288513
methyl (2S)-2-[(3-phenyl-6,7,8,9-tetrahydro-5H-imidazo[1,5-a]azepine-1-carbonyl)amino]propanoate
CID 87040351
methyl 3-[(5-methyl-1-phenyltriazole-4-carbonyl)amino]-3-phenylpropanoate
CID 47062002
1-N-(2-methoxyethyl)-3-N-(1-phenylethyl)-5,6,7,8-tetrahydroimidazo[1,5-a]pyridine-1,3-dicarboxamide
CID 109074975
methyl (3R)-3-[(4-methylbenzoyl)amino]-3-phenylpropanoate
CID 2054812
methyl 3-[(1-methylpyrazole-4-carbonyl)amino]-3-phenylpropanoate
CID 18098156
3-(azepane-1-carbonyl)-N-(1-phenylethyl)-5,6,7,8-tetrahydroimidazo[1,5-a]pyridine-1-carboxamide
CID 109076293
methyl (3S)-3-[[4-(2-oxopyrrolidin-1-yl)benzoyl]amino]-3-phenylpropanoate
CID 51558011
1-N-(1-phenylethyl)-3-N-propyl-5,6,7,8-tetrahydroimidazo[1,5-a]pyridine-1,3-dicarboxamide
CID 109072279
1-N-benzyl-3-N-propan-2-yl-5,6,7,8-tetrahydroimidazo[1,5-a]pyridine-1,3-dicarboxamide
CID 109072584
3-N-(2-chlorophenyl)-1-N-propan-2-yl-5,6,7,8-tetrahydroimidazo[1,5-a]pyridine-1,3-dicarboxamide
CID 109072504

Frequently Asked Questions

What is the IUPAC name of methyl (3S)-3-[(3-methyl-5,6,7,8-tetrahydroimidazo[1,5-a]pyridine-1-carbonyl)amino]-3-phenylpropanoate?
The IUPAC name of methyl (3S)-3-[(3-methyl-5,6,7,8-tetrahydroimidazo[1,5-a]pyridine-1-carbonyl)amino]-3-phenylpropanoate (CID 97008528) is methyl (3S)-3-[(3-methyl-5,6,7,8-tetrahydroimidazo[1,5-a]pyridine-1-carbonyl)amino]-3-phenylpropanoate.
What is the SMILES notation for methyl (3S)-3-[(3-methyl-5,6,7,8-tetrahydroimidazo[1,5-a]pyridine-1-carbonyl)amino]-3-phenylpropanoate?
The canonical SMILES for methyl (3S)-3-[(3-methyl-5,6,7,8-tetrahydroimidazo[1,5-a]pyridine-1-carbonyl)amino]-3-phenylpropanoate is COC(=O)C[C@H](NC(=O)c1nc(C)n2c1CCCC2)c1ccccc1.
What is the InChIKey of methyl (3S)-3-[(3-methyl-5,6,7,8-tetrahydroimidazo[1,5-a]pyridine-1-carbonyl)amino]-3-phenylpropanoate?
The InChIKey is YEZVGOJMFXVSDP-HNNXBMFYSA-N. The full InChI is InChI=1S/C19H23N3O3/c1-13-20-18(16-10-6-7-11-22(13)16)19(24)21-15(12-17(23)25-2)14-8-4-3-5-9-14/h3-5,8-9,15H,6-7,10-12H2,1-2H3,(H,21,24)/t15-/m0/s1.
What are the key properties of methyl (3S)-3-[(3-methyl-5,6,7,8-tetrahydroimidazo[1,5-a]pyridine-1-carbonyl)amino]-3-phenylpropanoate?
methyl (3S)-3-[(3-methyl-5,6,7,8-tetrahydroimidazo[1,5-a]pyridine-1-carbonyl)amino]-3-phenylpropanoate has a molecular weight of 341.41 g/mol, XLogP of 2.56, 5 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for methyl (3S)-3-[(3-methyl-5,6,7,8-tetrahydroimidazo[1,5-a]pyridine-1-carbonyl)amino]-3-phenylpropanoate is sourced from PubChem (CID 97008528), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).