2-phenyl-4-N-[[2-(pyrrolidin-1-ylmethyl)phenyl]methyl]imidazo[1,5-a]pyrimidine-4,8-dicarboxamide

C26H26N6O2 — CID 24631856

IUPAC2-phenyl-4-N-[[2-(pyrrolidin-1-ylmethyl)phenyl]methyl]imidazo[1,5-a]pyrimidine-4,8-dicarboxamide
SMILESNC(=O)c1ncn2c(C(=O)NCc3ccccc3CN3CCCC3)cc(-c3ccccc3)nc12
InChIInChI=1S/C26H26N6O2/c27-24(33)23-25-30-21(18-8-2-1-3-9-18)14-22(32(25)17-29-23)26(34)28-15-19-10-4-5-11-20(19)16-31-12-6-7-13-31/h1-5,8-11,14,17H,6-7,12-13,15-16H2,(H2,27,33)(H,28,34)
InChIKeyPRVOVDHFJUUKMT-UHFFFAOYSA-N
MW454.53 g/mol
LogP3.02
Rot. Bonds7

About 2-phenyl-4-N-[[2-(pyrrolidin-1-ylmethyl)phenyl]methyl]imidazo[1,5-a]pyrimidine-4,8-dicarboxamide

2-phenyl-4-N-[[2-(pyrrolidin-1-ylmethyl)phenyl]methyl]imidazo[1,5-a]pyrimidine-4,8-dicarboxamide (PubChem CID 24631856) has the molecular formula C26H26N6O2 and a molecular weight of 454.53 g/mol. Its IUPAC name is 2-phenyl-4-N-[[2-(pyrrolidin-1-ylmethyl)phenyl]methyl]imidazo[1,5-a]pyrimidine-4,8-dicarboxamide.

Molecular Properties

Compound Name2-phenyl-4-N-[[2-(pyrrolidin-1-ylmethyl)phenyl]methyl]imidazo[1,5-a]pyrimidine-4,8-dicarboxamide
PubChem CID24631856
Molecular FormulaC26H26N6O2
Molecular Weight454.53 g/mol
Exact Mass454.21
IUPAC Name2-phenyl-4-N-[[2-(pyrrolidin-1-ylmethyl)phenyl]methyl]imidazo[1,5-a]pyrimidine-4,8-dicarboxamide
SMILESNC(=O)c1ncn2c(C(=O)NCc3ccccc3CN3CCCC3)cc(-c3ccccc3)nc12
InChIInChI=1S/C26H26N6O2/c27-24(33)23-25-30-21(18-8-2-1-3-9-18)14-22(32(25)17-29-23)26(34)28-15-19-10-4-5-11-20(19)16-31-12-6-7-13-31/h1-5,8-11,14,17H,6-7,12-13,15-16H2,(H2,27,33)(H,28,34)
InChIKeyPRVOVDHFJUUKMT-UHFFFAOYSA-N
XLogP3.02
TPSA105.62 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds7
Heavy Atoms34
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500454.53
LogP ≤ 53.02
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

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Related Compounds

2-phenyl-4-N-(pyridin-2-ylmethyl)imidazo[1,5-a]pyrimidine-4,8-dicarboxamide
CID 24631763
2-phenyl-4-N-(3-phenylmethoxypropyl)imidazo[1,5-a]pyrimidine-4,8-dicarboxamide
CID 24685185
4-N-(3-cyclohexyloxypropyl)-2-phenylimidazo[1,5-a]pyrimidine-4,8-dicarboxamide
CID 25330819
2-phenyl-4-N-[(1S)-1-thiophen-2-ylethyl]imidazo[1,5-a]pyrimidine-4,8-dicarboxamide
CID 32543144
N-[[2-(pyrrolidin-1-ylmethyl)phenyl]methyl]naphthalene-1-carboxamide
CID 31644651
4-N-(6-methoxy-1,3-benzothiazol-2-yl)-2-phenylimidazo[1,5-a]pyrimidine-4,8-dicarboxamide
CID 24631899
6-methyl-4-oxo-1-phenyl-N-[[2-(pyrrolidin-1-ylmethyl)phenyl]methyl]pyridazine-3-carboxamide
CID 9143796
5-phenyl-N-[[2-(piperidin-1-ylmethyl)phenyl]methyl]-1H-pyrazole-4-carboxamide
CID 25342036
3-phenyl-N-[[2-(pyrrolidin-1-ylmethyl)phenyl]methyl]-2-sulfanylidene-1H-imidazole-4-carboxamide
CID 24551430
3-phenyl-N-[[2-(piperidin-1-ylmethyl)phenyl]methyl]-2-sulfanylidene-1H-imidazole-4-carboxamide
CID 17481881
4-(3,4-dimethoxyphenyl)-1-phenyl-N-[[2-(pyrrolidin-1-ylmethyl)phenyl]methyl]pyrazole-3-carboxamide
CID 16598960
N-[2-oxo-2-[[2-(piperidin-1-ylmethyl)phenyl]methylamino]ethyl]-2-phenylacetamide
CID 41438782

Frequently Asked Questions

What is the IUPAC name of 2-phenyl-4-N-[[2-(pyrrolidin-1-ylmethyl)phenyl]methyl]imidazo[1,5-a]pyrimidine-4,8-dicarboxamide?
The IUPAC name of 2-phenyl-4-N-[[2-(pyrrolidin-1-ylmethyl)phenyl]methyl]imidazo[1,5-a]pyrimidine-4,8-dicarboxamide (CID 24631856) is 2-phenyl-4-N-[[2-(pyrrolidin-1-ylmethyl)phenyl]methyl]imidazo[1,5-a]pyrimidine-4,8-dicarboxamide.
What is the SMILES notation for 2-phenyl-4-N-[[2-(pyrrolidin-1-ylmethyl)phenyl]methyl]imidazo[1,5-a]pyrimidine-4,8-dicarboxamide?
The canonical SMILES for 2-phenyl-4-N-[[2-(pyrrolidin-1-ylmethyl)phenyl]methyl]imidazo[1,5-a]pyrimidine-4,8-dicarboxamide is NC(=O)c1ncn2c(C(=O)NCc3ccccc3CN3CCCC3)cc(-c3ccccc3)nc12.
What is the InChIKey of 2-phenyl-4-N-[[2-(pyrrolidin-1-ylmethyl)phenyl]methyl]imidazo[1,5-a]pyrimidine-4,8-dicarboxamide?
The InChIKey is PRVOVDHFJUUKMT-UHFFFAOYSA-N. The full InChI is InChI=1S/C26H26N6O2/c27-24(33)23-25-30-21(18-8-2-1-3-9-18)14-22(32(25)17-29-23)26(34)28-15-19-10-4-5-11-20(19)16-31-12-6-7-13-31/h1-5,8-11,14,17H,6-7,12-13,15-16H2,(H2,27,33)(H,28,34).
What are the key properties of 2-phenyl-4-N-[[2-(pyrrolidin-1-ylmethyl)phenyl]methyl]imidazo[1,5-a]pyrimidine-4,8-dicarboxamide?
2-phenyl-4-N-[[2-(pyrrolidin-1-ylmethyl)phenyl]methyl]imidazo[1,5-a]pyrimidine-4,8-dicarboxamide has a molecular weight of 454.53 g/mol, XLogP of 3.02, 7 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2-phenyl-4-N-[[2-(pyrrolidin-1-ylmethyl)phenyl]methyl]imidazo[1,5-a]pyrimidine-4,8-dicarboxamide is sourced from PubChem (CID 24631856), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).