propan-2-yl 3-[(1S)-1-[(2-amino-2-methylpropanoyl)amino]-2-phenylmethoxyethyl]-5,6,7,8-tetrahydroimidazo[1,5-a]pyridine-7-carboxylate

C24H34N4O4 — CID 58431964

IUPACpropan-2-yl 3-[(1S)-1-[(2-amino-2-methylpropanoyl)amino]-2-phenylmethoxyethyl]-5,6,7,8-tetrahydroimidazo[1,5-a]pyridine-7-carboxylate
SMILESCC(C)OC(=O)C1CCn2c(cnc2[C@@H](COCc2ccccc2)NC(=O)C(C)(C)N)C1
InChIInChI=1S/C24H34N4O4/c1-16(2)32-22(29)18-10-11-28-19(12-18)13-26-21(28)20(27-23(30)24(3,4)25)15-31-14-17-8-6-5-7-9-17/h5-9,13,16,18,20H,10-12,14-15,25H2,1-4H3,(H,27,30)/t18?,20-/m1/s1
InChIKeyCLDDXOJQZLDXJG-ROPPNANJSA-N
MW442.56 g/mol
LogP2.51
Rot. Bonds9

About propan-2-yl 3-[(1S)-1-[(2-amino-2-methylpropanoyl)amino]-2-phenylmethoxyethyl]-5,6,7,8-tetrahydroimidazo[1,5-a]pyridine-7-carboxylate

propan-2-yl 3-[(1S)-1-[(2-amino-2-methylpropanoyl)amino]-2-phenylmethoxyethyl]-5,6,7,8-tetrahydroimidazo[1,5-a]pyridine-7-carboxylate (PubChem CID 58431964) has the molecular formula C24H34N4O4 and a molecular weight of 442.56 g/mol. Its IUPAC name is propan-2-yl 3-[(1S)-1-[(2-amino-2-methylpropanoyl)amino]-2-phenylmethoxyethyl]-5,6,7,8-tetrahydroimidazo[1,5-a]pyridine-7-carboxylate.

Molecular Properties

Compound Namepropan-2-yl 3-[(1S)-1-[(2-amino-2-methylpropanoyl)amino]-2-phenylmethoxyethyl]-5,6,7,8-tetrahydroimidazo[1,5-a]pyridine-7-carboxylate
PubChem CID58431964
Molecular FormulaC24H34N4O4
Molecular Weight442.56 g/mol
Exact Mass442.26
IUPAC Namepropan-2-yl 3-[(1S)-1-[(2-amino-2-methylpropanoyl)amino]-2-phenylmethoxyethyl]-5,6,7,8-tetrahydroimidazo[1,5-a]pyridine-7-carboxylate
SMILESCC(C)OC(=O)C1CCn2c(cnc2[C@@H](COCc2ccccc2)NC(=O)C(C)(C)N)C1
InChIInChI=1S/C24H34N4O4/c1-16(2)32-22(29)18-10-11-28-19(12-18)13-26-21(28)20(27-23(30)24(3,4)25)15-31-14-17-8-6-5-7-9-17/h5-9,13,16,18,20H,10-12,14-15,25H2,1-4H3,(H,27,30)/t18?,20-/m1/s1
InChIKeyCLDDXOJQZLDXJG-ROPPNANJSA-N
XLogP2.51
TPSA108.47 Ų
H-Bond Donors2
H-Bond Acceptors7
Rotatable Bonds9
Heavy Atoms32
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500442.56
LogP ≤ 52.51
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 107

Analyze propan-2-yl 3-[(1S)-1-[(2-amino-2-methylpropanoyl)amino]-2-phenylmethoxyethyl]-5,6,7,8-tetrahydroimidazo[1,5-a]pyridine-7-carboxylate with MolForge

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Related Compounds

3-[(1S)-1-[(2-amino-2-methylpropanoyl)amino]-2-phenylmethoxyethyl]-6,8-dihydro-5H-[1,2,4]triazolo[4,3-a]pyrazine-7-carboxylic acid
CID 89441556
[3-[(1S)-1-[(2-amino-2-methylpropanoyl)amino]-2-phenylmethoxyethyl]imidazo[1,5-a]pyridin-5-yl]methyl 2-methylpyrrolidine-1-carboxylate
CID 70927527
2-amino-2-methyl-N-[(1S)-1-(5-methyl-5,6,7,8-tetrahydro-[1,2,4]triazolo[4,3-a]pyridin-3-yl)-2-phenylmethoxyethyl]propanamide
CID 58783725
2-amino-2-methyl-N-[(1S)-1-(6-methylsulfanyl-[1,2,4]triazolo[4,3-a]pyridin-3-yl)-2-phenylmethoxyethyl]propanamide
CID 70800627
2-amino-2-methyl-N-[(1S)-1-(6-methyl-[1,2,4]triazolo[4,3-a]pyridin-3-yl)-2-phenylmethoxyethyl]propanamide
CID 10044493
[3-[(1S)-1-[(2-amino-2-methylpropanoyl)amino]-2-phenylmethoxyethyl]imidazo[1,5-a]pyridin-5-yl]methyl 3,4-dihydro-1H-isoquinoline-2-carboxylate;methane
CID 162052064
[3-[1-[(2-amino-2-methylpropanoyl)amino]-2-phenylmethoxyethyl]-[1,2,4]triazolo[4,3-a]pyridin-5-yl]methyl 2-azabicyclo[3.1.0]hexane-2-carboxylate
CID 58784160
2-amino-2-methyl-N-[(1S)-2-phenylmethoxy-1-(8-phenylmethoxy-[1,2,4]triazolo[4,3-a]pyridin-3-yl)ethyl]propanamide;methane
CID 159226946
2-amino-N-[(1S)-1-(6-chloro-[1,2,4]triazolo[4,3-a]pyridin-3-yl)-2-phenylmethoxyethyl]-2-methylpropanamide
CID 10068827
2-amino-N-[(1S)-1-(5-fluoro-[1,2,4]triazolo[4,3-a]pyridin-3-yl)-2-phenylmethoxyethyl]-2-methylpropanamide;methane
CID 159288015
(2-methoxyphenyl) 3-[(1S)-1-[(2-amino-2-methylpropanoyl)amino]-2-phenylmethoxyethyl]-6,8-dihydro-5H-[1,2,4]triazolo[4,3-a]pyrazine-7-carboxylate
CID 58783573
[3-[(1S)-1-[(2-amino-2-methylpropanoyl)amino]-2-phenylmethoxyethyl]-[1,2,4]triazolo[1,2-a]pyridazin-9-ium-5-yl]methyl (3S)-3-hydroxypyrrolidine-1-carboxylate
CID 58783772

Frequently Asked Questions

What is the IUPAC name of propan-2-yl 3-[(1S)-1-[(2-amino-2-methylpropanoyl)amino]-2-phenylmethoxyethyl]-5,6,7,8-tetrahydroimidazo[1,5-a]pyridine-7-carboxylate?
The IUPAC name of propan-2-yl 3-[(1S)-1-[(2-amino-2-methylpropanoyl)amino]-2-phenylmethoxyethyl]-5,6,7,8-tetrahydroimidazo[1,5-a]pyridine-7-carboxylate (CID 58431964) is propan-2-yl 3-[(1S)-1-[(2-amino-2-methylpropanoyl)amino]-2-phenylmethoxyethyl]-5,6,7,8-tetrahydroimidazo[1,5-a]pyridine-7-carboxylate.
What is the SMILES notation for propan-2-yl 3-[(1S)-1-[(2-amino-2-methylpropanoyl)amino]-2-phenylmethoxyethyl]-5,6,7,8-tetrahydroimidazo[1,5-a]pyridine-7-carboxylate?
The canonical SMILES for propan-2-yl 3-[(1S)-1-[(2-amino-2-methylpropanoyl)amino]-2-phenylmethoxyethyl]-5,6,7,8-tetrahydroimidazo[1,5-a]pyridine-7-carboxylate is CC(C)OC(=O)C1CCn2c(cnc2[C@@H](COCc2ccccc2)NC(=O)C(C)(C)N)C1.
What is the InChIKey of propan-2-yl 3-[(1S)-1-[(2-amino-2-methylpropanoyl)amino]-2-phenylmethoxyethyl]-5,6,7,8-tetrahydroimidazo[1,5-a]pyridine-7-carboxylate?
The InChIKey is CLDDXOJQZLDXJG-ROPPNANJSA-N. The full InChI is InChI=1S/C24H34N4O4/c1-16(2)32-22(29)18-10-11-28-19(12-18)13-26-21(28)20(27-23(30)24(3,4)25)15-31-14-17-8-6-5-7-9-17/h5-9,13,16,18,20H,10-12,14-15,25H2,1-4H3,(H,27,30)/t18?,20-/m1/s1.
What are the key properties of propan-2-yl 3-[(1S)-1-[(2-amino-2-methylpropanoyl)amino]-2-phenylmethoxyethyl]-5,6,7,8-tetrahydroimidazo[1,5-a]pyridine-7-carboxylate?
propan-2-yl 3-[(1S)-1-[(2-amino-2-methylpropanoyl)amino]-2-phenylmethoxyethyl]-5,6,7,8-tetrahydroimidazo[1,5-a]pyridine-7-carboxylate has a molecular weight of 442.56 g/mol, XLogP of 2.51, 9 rotatable bonds, 2 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for propan-2-yl 3-[(1S)-1-[(2-amino-2-methylpropanoyl)amino]-2-phenylmethoxyethyl]-5,6,7,8-tetrahydroimidazo[1,5-a]pyridine-7-carboxylate is sourced from PubChem (CID 58431964), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).