5,7-dimethyl-N-[(3R)-1-(2-phenylethyl)piperidin-3-yl]pyrazolo[1,5-a]pyrimidine-2-carboxamide

C22H27N5O — CID 25456242

IUPAC5,7-dimethyl-N-[(3R)-1-(2-phenylethyl)piperidin-3-yl]pyrazolo[1,5-a]pyrimidine-2-carboxamide
SMILESCc1cc(C)n2nc(C(=O)N[C@@H]3CCCN(CCc4ccccc4)C3)cc2n1
InChIInChI=1S/C22H27N5O/c1-16-13-17(2)27-21(23-16)14-20(25-27)22(28)24-19-9-6-11-26(15-19)12-10-18-7-4-3-5-8-18/h3-5,7-8,13-14,19H,6,9-12,15H2,1-2H3,(H,24,28)/t19-/m1/s1
InChIKeyYTVQVDUDKKSDHK-LJQANCHMSA-N
MW377.49 g/mol
LogP2.78
Rot. Bonds5

About 5,7-dimethyl-N-[(3R)-1-(2-phenylethyl)piperidin-3-yl]pyrazolo[1,5-a]pyrimidine-2-carboxamide

5,7-dimethyl-N-[(3R)-1-(2-phenylethyl)piperidin-3-yl]pyrazolo[1,5-a]pyrimidine-2-carboxamide (PubChem CID 25456242) has the molecular formula C22H27N5O and a molecular weight of 377.49 g/mol. Its IUPAC name is 5,7-dimethyl-N-[(3R)-1-(2-phenylethyl)piperidin-3-yl]pyrazolo[1,5-a]pyrimidine-2-carboxamide.

Molecular Properties

Compound Name5,7-dimethyl-N-[(3R)-1-(2-phenylethyl)piperidin-3-yl]pyrazolo[1,5-a]pyrimidine-2-carboxamide
PubChem CID25456242
Molecular FormulaC22H27N5O
Molecular Weight377.49 g/mol
Exact Mass377.22
IUPAC Name5,7-dimethyl-N-[(3R)-1-(2-phenylethyl)piperidin-3-yl]pyrazolo[1,5-a]pyrimidine-2-carboxamide
SMILESCc1cc(C)n2nc(C(=O)N[C@@H]3CCCN(CCc4ccccc4)C3)cc2n1
InChIInChI=1S/C22H27N5O/c1-16-13-17(2)27-21(23-16)14-20(25-27)22(28)24-19-9-6-11-26(15-19)12-10-18-7-4-3-5-8-18/h3-5,7-8,13-14,19H,6,9-12,15H2,1-2H3,(H,24,28)/t19-/m1/s1
InChIKeyYTVQVDUDKKSDHK-LJQANCHMSA-N
XLogP2.78
TPSA62.53 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500377.49
LogP ≤ 52.78
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 5,7-dimethyl-N-[(3R)-1-(2-phenylethyl)piperidin-3-yl]pyrazolo[1,5-a]pyrimidine-2-carboxamide?
The IUPAC name of 5,7-dimethyl-N-[(3R)-1-(2-phenylethyl)piperidin-3-yl]pyrazolo[1,5-a]pyrimidine-2-carboxamide (CID 25456242) is 5,7-dimethyl-N-[(3R)-1-(2-phenylethyl)piperidin-3-yl]pyrazolo[1,5-a]pyrimidine-2-carboxamide.
What is the SMILES notation for 5,7-dimethyl-N-[(3R)-1-(2-phenylethyl)piperidin-3-yl]pyrazolo[1,5-a]pyrimidine-2-carboxamide?
The canonical SMILES for 5,7-dimethyl-N-[(3R)-1-(2-phenylethyl)piperidin-3-yl]pyrazolo[1,5-a]pyrimidine-2-carboxamide is Cc1cc(C)n2nc(C(=O)N[C@@H]3CCCN(CCc4ccccc4)C3)cc2n1.
What is the InChIKey of 5,7-dimethyl-N-[(3R)-1-(2-phenylethyl)piperidin-3-yl]pyrazolo[1,5-a]pyrimidine-2-carboxamide?
The InChIKey is YTVQVDUDKKSDHK-LJQANCHMSA-N. The full InChI is InChI=1S/C22H27N5O/c1-16-13-17(2)27-21(23-16)14-20(25-27)22(28)24-19-9-6-11-26(15-19)12-10-18-7-4-3-5-8-18/h3-5,7-8,13-14,19H,6,9-12,15H2,1-2H3,(H,24,28)/t19-/m1/s1.
What are the key properties of 5,7-dimethyl-N-[(3R)-1-(2-phenylethyl)piperidin-3-yl]pyrazolo[1,5-a]pyrimidine-2-carboxamide?
5,7-dimethyl-N-[(3R)-1-(2-phenylethyl)piperidin-3-yl]pyrazolo[1,5-a]pyrimidine-2-carboxamide has a molecular weight of 377.49 g/mol, XLogP of 2.78, 5 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 5,7-dimethyl-N-[(3R)-1-(2-phenylethyl)piperidin-3-yl]pyrazolo[1,5-a]pyrimidine-2-carboxamide is sourced from PubChem (CID 25456242), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).