5,7-diphenyl-N-(1-propan-2-ylpyrrolidin-3-yl)pyrazolo[1,5-a]pyrimidine-2-carboxamide

C26H27N5O — CID 170089470

IUPAC5,7-diphenyl-N-(1-propan-2-ylpyrrolidin-3-yl)pyrazolo[1,5-a]pyrimidine-2-carboxamide
SMILESCC(C)N1CCC(NC(=O)c2cc3nc(-c4ccccc4)cc(-c4ccccc4)n3n2)C1
InChIInChI=1S/C26H27N5O/c1-18(2)30-14-13-21(17-30)27-26(32)23-16-25-28-22(19-9-5-3-6-10-19)15-24(31(25)29-23)20-11-7-4-8-12-20/h3-12,15-16,18,21H,13-14,17H2,1-2H3,(H,27,32)
InChIKeyMELFTONBIAKFGI-UHFFFAOYSA-N
MW425.54 g/mol
LogP4.28
Rot. Bonds5

About 5,7-diphenyl-N-(1-propan-2-ylpyrrolidin-3-yl)pyrazolo[1,5-a]pyrimidine-2-carboxamide

5,7-diphenyl-N-(1-propan-2-ylpyrrolidin-3-yl)pyrazolo[1,5-a]pyrimidine-2-carboxamide (PubChem CID 170089470) has the molecular formula C26H27N5O and a molecular weight of 425.54 g/mol. Its IUPAC name is 5,7-diphenyl-N-(1-propan-2-ylpyrrolidin-3-yl)pyrazolo[1,5-a]pyrimidine-2-carboxamide.

Molecular Properties

Compound Name5,7-diphenyl-N-(1-propan-2-ylpyrrolidin-3-yl)pyrazolo[1,5-a]pyrimidine-2-carboxamide
PubChem CID170089470
Molecular FormulaC26H27N5O
Molecular Weight425.54 g/mol
Exact Mass425.22
IUPAC Name5,7-diphenyl-N-(1-propan-2-ylpyrrolidin-3-yl)pyrazolo[1,5-a]pyrimidine-2-carboxamide
SMILESCC(C)N1CCC(NC(=O)c2cc3nc(-c4ccccc4)cc(-c4ccccc4)n3n2)C1
InChIInChI=1S/C26H27N5O/c1-18(2)30-14-13-21(17-30)27-26(32)23-16-25-28-22(19-9-5-3-6-10-19)15-24(31(25)29-23)20-11-7-4-8-12-20/h3-12,15-16,18,21H,13-14,17H2,1-2H3,(H,27,32)
InChIKeyMELFTONBIAKFGI-UHFFFAOYSA-N
XLogP4.28
TPSA62.53 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms32
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500425.54
LogP ≤ 54.28
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

5-(2-fluorophenyl)-N-(1-methylazetidin-3-yl)-7-phenylpyrazolo[1,5-a]pyrimidine-2-carboxamide
CID 170090156
N-(1-methylpyrrolidin-3-yl)-5-phenyl-7-piperidin-1-ylpyrazolo[1,5-a]pyrimidine-2-carboxamide;2,2,2-trifluoroacetic acid
CID 175922920
N-[(1-cyclopropylpyrrolidin-3-yl)methyl]-5,7-diphenylpyrazolo[1,5-a]pyrimidine-2-carboxamide
CID 170089556
tert-butyl N-[3-[(5,7-diphenylpyrazolo[1,5-a]pyrimidine-2-carbonyl)amino]-2-methylpropyl]carbamate
CID 170092352
1-tert-butyl-5-propan-2-yl-N-[(3R)-1-propan-2-ylpyrrolidin-3-yl]pyrazole-3-carboxamide
CID 95377906
5,7-diphenyl-N-pyridin-3-ylpyrazolo[1,5-a]pyrimidine-2-carboxamide
CID 1259348
3-fluoro-N-(1-methylazetidin-3-yl)-5,7-diphenylpyrazolo[1,5-a]pyrimidine-2-carboxamide
CID 170089728
N-(1,3-benzodioxol-5-ylmethyl)-5,7-diphenylpyrazolo[1,5-a]pyrimidine-2-carboxamide
CID 1256671
7-methyl-5-phenylpyrazolo[1,5-a]pyrimidine-2-carboxylic acid
CID 776256
N-benzyl-N-methyl-5,7-diphenylpyrazolo[1,5-a]pyrimidine-2-carboxamide
CID 1097403
N-[2-(1H-imidazol-2-yl)ethyl]-5,7-diphenylpyrazolo[1,5-a]pyrimidine-2-carboxamide
CID 170089605
N-[(3S)-1-[(1S)-1-phenylethyl]pyrrolidin-3-yl]pyridine-2-carboxamide
CID 94536296

Frequently Asked Questions

What is the IUPAC name of 5,7-diphenyl-N-(1-propan-2-ylpyrrolidin-3-yl)pyrazolo[1,5-a]pyrimidine-2-carboxamide?
The IUPAC name of 5,7-diphenyl-N-(1-propan-2-ylpyrrolidin-3-yl)pyrazolo[1,5-a]pyrimidine-2-carboxamide (CID 170089470) is 5,7-diphenyl-N-(1-propan-2-ylpyrrolidin-3-yl)pyrazolo[1,5-a]pyrimidine-2-carboxamide.
What is the SMILES notation for 5,7-diphenyl-N-(1-propan-2-ylpyrrolidin-3-yl)pyrazolo[1,5-a]pyrimidine-2-carboxamide?
The canonical SMILES for 5,7-diphenyl-N-(1-propan-2-ylpyrrolidin-3-yl)pyrazolo[1,5-a]pyrimidine-2-carboxamide is CC(C)N1CCC(NC(=O)c2cc3nc(-c4ccccc4)cc(-c4ccccc4)n3n2)C1.
What is the InChIKey of 5,7-diphenyl-N-(1-propan-2-ylpyrrolidin-3-yl)pyrazolo[1,5-a]pyrimidine-2-carboxamide?
The InChIKey is MELFTONBIAKFGI-UHFFFAOYSA-N. The full InChI is InChI=1S/C26H27N5O/c1-18(2)30-14-13-21(17-30)27-26(32)23-16-25-28-22(19-9-5-3-6-10-19)15-24(31(25)29-23)20-11-7-4-8-12-20/h3-12,15-16,18,21H,13-14,17H2,1-2H3,(H,27,32).
What are the key properties of 5,7-diphenyl-N-(1-propan-2-ylpyrrolidin-3-yl)pyrazolo[1,5-a]pyrimidine-2-carboxamide?
5,7-diphenyl-N-(1-propan-2-ylpyrrolidin-3-yl)pyrazolo[1,5-a]pyrimidine-2-carboxamide has a molecular weight of 425.54 g/mol, XLogP of 4.28, 5 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 5,7-diphenyl-N-(1-propan-2-ylpyrrolidin-3-yl)pyrazolo[1,5-a]pyrimidine-2-carboxamide is sourced from PubChem (CID 170089470), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).