methyl 3-[(8-carbamoyl-2-phenylimidazo[1,5-a]pyrimidine-4-carbonyl)amino]-3-phenylpropanoate

C24H21N5O4 — CID 24631890

IUPACmethyl 3-[(8-carbamoyl-2-phenylimidazo[1,5-a]pyrimidine-4-carbonyl)amino]-3-phenylpropanoate
SMILESCOC(=O)CC(NC(=O)c1cc(-c2ccccc2)nc2c(C(N)=O)ncn12)c1ccccc1
InChIInChI=1S/C24H21N5O4/c1-33-20(30)13-18(16-10-6-3-7-11-16)28-24(32)19-12-17(15-8-4-2-5-9-15)27-23-21(22(25)31)26-14-29(19)23/h2-12,14,18H,13H2,1H3,(H2,25,31)(H,28,32)
InChIKeyHVXJEVVJIOVKEL-UHFFFAOYSA-N
MW443.46 g/mol
LogP2.53
Rot. Bonds7

About methyl 3-[(8-carbamoyl-2-phenylimidazo[1,5-a]pyrimidine-4-carbonyl)amino]-3-phenylpropanoate

methyl 3-[(8-carbamoyl-2-phenylimidazo[1,5-a]pyrimidine-4-carbonyl)amino]-3-phenylpropanoate (PubChem CID 24631890) has the molecular formula C24H21N5O4 and a molecular weight of 443.46 g/mol. Its IUPAC name is methyl 3-[(8-carbamoyl-2-phenylimidazo[1,5-a]pyrimidine-4-carbonyl)amino]-3-phenylpropanoate.

Molecular Properties

Compound Namemethyl 3-[(8-carbamoyl-2-phenylimidazo[1,5-a]pyrimidine-4-carbonyl)amino]-3-phenylpropanoate
PubChem CID24631890
Molecular FormulaC24H21N5O4
Molecular Weight443.46 g/mol
Exact Mass443.16
IUPAC Namemethyl 3-[(8-carbamoyl-2-phenylimidazo[1,5-a]pyrimidine-4-carbonyl)amino]-3-phenylpropanoate
SMILESCOC(=O)CC(NC(=O)c1cc(-c2ccccc2)nc2c(C(N)=O)ncn12)c1ccccc1
InChIInChI=1S/C24H21N5O4/c1-33-20(30)13-18(16-10-6-3-7-11-16)28-24(32)19-12-17(15-8-4-2-5-9-15)27-23-21(22(25)31)26-14-29(19)23/h2-12,14,18H,13H2,1H3,(H2,25,31)(H,28,32)
InChIKeyHVXJEVVJIOVKEL-UHFFFAOYSA-N
XLogP2.53
TPSA128.68 Ų
H-Bond Donors2
H-Bond Acceptors7
Rotatable Bonds7
Heavy Atoms33
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500443.46
LogP ≤ 52.53
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 107

Analyze methyl 3-[(8-carbamoyl-2-phenylimidazo[1,5-a]pyrimidine-4-carbonyl)amino]-3-phenylpropanoate with MolForge

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Related Compounds

4-N-[1-(3-fluoro-4-methoxyphenyl)ethyl]-2-phenylimidazo[1,5-a]pyrimidine-4,8-dicarboxamide
CID 24631830
2-phenyl-4-N-(3-phenylmethoxypropyl)imidazo[1,5-a]pyrimidine-4,8-dicarboxamide
CID 24685185
4-N-(3,4-dimethylphenyl)-2-phenylimidazo[1,5-a]pyrimidine-4,8-dicarboxamide
CID 25358211
2-phenyl-4-N-(pyridin-2-ylmethyl)imidazo[1,5-a]pyrimidine-4,8-dicarboxamide
CID 24631763
2-phenyl-4-N-[[2-(pyrrolidin-1-ylmethyl)phenyl]methyl]imidazo[1,5-a]pyrimidine-4,8-dicarboxamide
CID 24631856
methyl (3S)-3-phenyl-3-[(3-phenyl-1H-pyrazole-5-carbonyl)amino]propanoate
CID 25358277
4-N-(4-methyl-1,3-benzothiazol-2-yl)-2-phenylimidazo[1,5-a]pyrimidine-4,8-dicarboxamide
CID 24649876
methyl 3-[(5-methyl-1-phenyltriazole-4-carbonyl)amino]-3-phenylpropanoate
CID 47062002
methyl (3R)-3-[(3-nitrobenzoyl)amino]-3-phenylpropanoate
CID 40856388
methyl (3R)-3-[(4-methylbenzoyl)amino]-3-phenylpropanoate
CID 2054812
methyl 3-[[2-(2-methoxyphenoxy)acetyl]amino]-3-phenylpropanoate
CID 18121206
methyl (3S)-3-(furan-3-carbonylamino)-3-phenylpropanoate
CID 41177012

Frequently Asked Questions

What is the IUPAC name of methyl 3-[(8-carbamoyl-2-phenylimidazo[1,5-a]pyrimidine-4-carbonyl)amino]-3-phenylpropanoate?
The IUPAC name of methyl 3-[(8-carbamoyl-2-phenylimidazo[1,5-a]pyrimidine-4-carbonyl)amino]-3-phenylpropanoate (CID 24631890) is methyl 3-[(8-carbamoyl-2-phenylimidazo[1,5-a]pyrimidine-4-carbonyl)amino]-3-phenylpropanoate.
What is the SMILES notation for methyl 3-[(8-carbamoyl-2-phenylimidazo[1,5-a]pyrimidine-4-carbonyl)amino]-3-phenylpropanoate?
The canonical SMILES for methyl 3-[(8-carbamoyl-2-phenylimidazo[1,5-a]pyrimidine-4-carbonyl)amino]-3-phenylpropanoate is COC(=O)CC(NC(=O)c1cc(-c2ccccc2)nc2c(C(N)=O)ncn12)c1ccccc1.
What is the InChIKey of methyl 3-[(8-carbamoyl-2-phenylimidazo[1,5-a]pyrimidine-4-carbonyl)amino]-3-phenylpropanoate?
The InChIKey is HVXJEVVJIOVKEL-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H21N5O4/c1-33-20(30)13-18(16-10-6-3-7-11-16)28-24(32)19-12-17(15-8-4-2-5-9-15)27-23-21(22(25)31)26-14-29(19)23/h2-12,14,18H,13H2,1H3,(H2,25,31)(H,28,32).
What are the key properties of methyl 3-[(8-carbamoyl-2-phenylimidazo[1,5-a]pyrimidine-4-carbonyl)amino]-3-phenylpropanoate?
methyl 3-[(8-carbamoyl-2-phenylimidazo[1,5-a]pyrimidine-4-carbonyl)amino]-3-phenylpropanoate has a molecular weight of 443.46 g/mol, XLogP of 2.53, 7 rotatable bonds, 2 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for methyl 3-[(8-carbamoyl-2-phenylimidazo[1,5-a]pyrimidine-4-carbonyl)amino]-3-phenylpropanoate is sourced from PubChem (CID 24631890), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).