4-N-(3,4-dimethylphenyl)-2-phenylimidazo[1,5-a]pyrimidine-4,8-dicarboxamide

C22H19N5O2 — CID 25358211

IUPAC4-N-(3,4-dimethylphenyl)-2-phenylimidazo[1,5-a]pyrimidine-4,8-dicarboxamide
SMILESCc1ccc(NC(=O)c2cc(-c3ccccc3)nc3c(C(N)=O)ncn23)cc1C
InChIInChI=1S/C22H19N5O2/c1-13-8-9-16(10-14(13)2)25-22(29)18-11-17(15-6-4-3-5-7-15)26-21-19(20(23)28)24-12-27(18)21/h3-12H,1-2H3,(H2,23,28)(H,25,29)
InChIKeyONFSGIPSWWPCED-UHFFFAOYSA-N
MW385.43 g/mol
LogP3.36
Rot. Bonds4

About 4-N-(3,4-dimethylphenyl)-2-phenylimidazo[1,5-a]pyrimidine-4,8-dicarboxamide

4-N-(3,4-dimethylphenyl)-2-phenylimidazo[1,5-a]pyrimidine-4,8-dicarboxamide (PubChem CID 25358211) has the molecular formula C22H19N5O2 and a molecular weight of 385.43 g/mol. Its IUPAC name is 4-N-(3,4-dimethylphenyl)-2-phenylimidazo[1,5-a]pyrimidine-4,8-dicarboxamide.

Molecular Properties

Compound Name4-N-(3,4-dimethylphenyl)-2-phenylimidazo[1,5-a]pyrimidine-4,8-dicarboxamide
PubChem CID25358211
Molecular FormulaC22H19N5O2
Molecular Weight385.43 g/mol
Exact Mass385.15
IUPAC Name4-N-(3,4-dimethylphenyl)-2-phenylimidazo[1,5-a]pyrimidine-4,8-dicarboxamide
SMILESCc1ccc(NC(=O)c2cc(-c3ccccc3)nc3c(C(N)=O)ncn23)cc1C
InChIInChI=1S/C22H19N5O2/c1-13-8-9-16(10-14(13)2)25-22(29)18-11-17(15-6-4-3-5-7-15)26-21-19(20(23)28)24-12-27(18)21/h3-12H,1-2H3,(H2,23,28)(H,25,29)
InChIKeyONFSGIPSWWPCED-UHFFFAOYSA-N
XLogP3.36
TPSA102.38 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500385.43
LogP ≤ 53.36
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Related Compounds

4-N-[4-(difluoromethoxy)phenyl]-2-phenylimidazo[1,5-a]pyrimidine-4,8-dicarboxamide
CID 25342095
4-N-(4-methyl-1,3-benzothiazol-2-yl)-2-phenylimidazo[1,5-a]pyrimidine-4,8-dicarboxamide
CID 24649876
2-phenyl-4-N-(3-phenylmethoxypropyl)imidazo[1,5-a]pyrimidine-4,8-dicarboxamide
CID 24685185
2-phenyl-4-N-(pyridin-2-ylmethyl)imidazo[1,5-a]pyrimidine-4,8-dicarboxamide
CID 24631763
2-phenyl-4-N-[(1S)-1-thiophen-2-ylethyl]imidazo[1,5-a]pyrimidine-4,8-dicarboxamide
CID 32543144
4-N-(6-methoxy-1,3-benzothiazol-2-yl)-2-phenylimidazo[1,5-a]pyrimidine-4,8-dicarboxamide
CID 24631899
methyl 3-[(8-carbamoyl-2-phenylimidazo[1,5-a]pyrimidine-4-carbonyl)amino]-3-phenylpropanoate
CID 24631890
2-N-(4-methylphenyl)-4-phenylimidazo[1,5-a]pyrimidine-2,8-dicarboxamide
CID 167753642
2-phenyl-4-N-[[2-(pyrrolidin-1-ylmethyl)phenyl]methyl]imidazo[1,5-a]pyrimidine-4,8-dicarboxamide
CID 24631856
4-N-[1-(3-fluoro-4-methoxyphenyl)ethyl]-2-phenylimidazo[1,5-a]pyrimidine-4,8-dicarboxamide
CID 24631830
4-N-[1-(2,3-dihydro-1,4-benzodioxin-6-yl)ethyl]-2-phenylimidazo[1,5-a]pyrimidine-4,8-dicarboxamide
CID 24684874
N-(4-carbamoyl-3-methylphenyl)-6-phenyl-1-propan-2-ylpyrazolo[5,4-b]pyridine-4-carboxamide
CID 56517165

Frequently Asked Questions

What is the IUPAC name of 4-N-(3,4-dimethylphenyl)-2-phenylimidazo[1,5-a]pyrimidine-4,8-dicarboxamide?
The IUPAC name of 4-N-(3,4-dimethylphenyl)-2-phenylimidazo[1,5-a]pyrimidine-4,8-dicarboxamide (CID 25358211) is 4-N-(3,4-dimethylphenyl)-2-phenylimidazo[1,5-a]pyrimidine-4,8-dicarboxamide.
What is the SMILES notation for 4-N-(3,4-dimethylphenyl)-2-phenylimidazo[1,5-a]pyrimidine-4,8-dicarboxamide?
The canonical SMILES for 4-N-(3,4-dimethylphenyl)-2-phenylimidazo[1,5-a]pyrimidine-4,8-dicarboxamide is Cc1ccc(NC(=O)c2cc(-c3ccccc3)nc3c(C(N)=O)ncn23)cc1C.
What is the InChIKey of 4-N-(3,4-dimethylphenyl)-2-phenylimidazo[1,5-a]pyrimidine-4,8-dicarboxamide?
The InChIKey is ONFSGIPSWWPCED-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H19N5O2/c1-13-8-9-16(10-14(13)2)25-22(29)18-11-17(15-6-4-3-5-7-15)26-21-19(20(23)28)24-12-27(18)21/h3-12H,1-2H3,(H2,23,28)(H,25,29).
What are the key properties of 4-N-(3,4-dimethylphenyl)-2-phenylimidazo[1,5-a]pyrimidine-4,8-dicarboxamide?
4-N-(3,4-dimethylphenyl)-2-phenylimidazo[1,5-a]pyrimidine-4,8-dicarboxamide has a molecular weight of 385.43 g/mol, XLogP of 3.36, 4 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 4-N-(3,4-dimethylphenyl)-2-phenylimidazo[1,5-a]pyrimidine-4,8-dicarboxamide is sourced from PubChem (CID 25358211), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).