2-tert-butyl-7-phenyl-N-(pyridin-2-ylmethyl)pyrazolo[1,5-a]pyrimidine-6-carboxamide

C23H23N5O — CID 3985689

IUPAC2-tert-butyl-7-phenyl-N-(pyridin-2-ylmethyl)pyrazolo[1,5-a]pyrimidine-6-carboxamide
SMILESCC(C)(C)c1cc2ncc(C(=O)NCc3ccccn3)c(-c3ccccc3)n2n1
InChIInChI=1S/C23H23N5O/c1-23(2,3)19-13-20-25-15-18(22(29)26-14-17-11-7-8-12-24-17)21(28(20)27-19)16-9-5-4-6-10-16/h4-13,15H,14H2,1-3H3,(H,26,29)
InChIKeyJWUDACVWUASTJH-UHFFFAOYSA-N
MW385.47 g/mol
LogP4.02
Rot. Bonds4

About 2-tert-butyl-7-phenyl-N-(pyridin-2-ylmethyl)pyrazolo[1,5-a]pyrimidine-6-carboxamide

2-tert-butyl-7-phenyl-N-(pyridin-2-ylmethyl)pyrazolo[1,5-a]pyrimidine-6-carboxamide (PubChem CID 3985689) has the molecular formula C23H23N5O and a molecular weight of 385.47 g/mol. Its IUPAC name is 2-tert-butyl-7-phenyl-N-(pyridin-2-ylmethyl)pyrazolo[1,5-a]pyrimidine-6-carboxamide.

Molecular Properties

Compound Name2-tert-butyl-7-phenyl-N-(pyridin-2-ylmethyl)pyrazolo[1,5-a]pyrimidine-6-carboxamide
PubChem CID3985689
Molecular FormulaC23H23N5O
Molecular Weight385.47 g/mol
Exact Mass385.19
IUPAC Name2-tert-butyl-7-phenyl-N-(pyridin-2-ylmethyl)pyrazolo[1,5-a]pyrimidine-6-carboxamide
SMILESCC(C)(C)c1cc2ncc(C(=O)NCc3ccccn3)c(-c3ccccc3)n2n1
InChIInChI=1S/C23H23N5O/c1-23(2,3)19-13-20-25-15-18(22(29)26-14-17-11-7-8-12-24-17)21(28(20)27-19)16-9-5-4-6-10-16/h4-13,15H,14H2,1-3H3,(H,26,29)
InChIKeyJWUDACVWUASTJH-UHFFFAOYSA-N
XLogP4.02
TPSA72.18 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500385.47
LogP ≤ 54.02
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

2-tert-butyl-7-methyl-N-(pyridin-2-ylmethyl)pyrazolo[1,5-a]pyrimidine-6-carboxamide
CID 811830
1-(4-chlorophenyl)-5-phenyl-N-(pyridin-2-ylmethyl)pyrazole-4-carboxamide
CID 42818142
5-tert-butyl-2-methoxy-N-(pyridin-2-ylmethyl)benzamide
CID 110761323
2,7-diphenyl-N-propan-2-ylpyrazolo[1,5-a]pyrimidine-6-carboxamide
CID 4023697
3-phenyl-N-(pyridin-2-ylmethyl)benzamide
CID 110724423
2-phenyl-N-(pyridin-2-ylmethyl)quinoline-4-carboxamide
CID 757671
2-(4-methylphenyl)-N-(pyridin-2-ylmethyl)quinoline-4-carboxamide
CID 1220288
2,7-dimethyl-N-(pyridin-2-ylmethyl)pyrazolo[1,5-a]pyrimidine-5-carboxamide
CID 110851998
6-methyl-4-(methylamino)-N-(pyridin-2-ylmethyl)pyridine-3-carboxamide
CID 81236822
4-hydrazinyl-6-methyl-N-(pyridin-2-ylmethyl)pyridine-3-carboxamide
CID 81255827
1-methyl-N-(pyridin-2-ylmethyl)-3-(trifluoromethyl)pyrazole-5-carboxamide
CID 19578739
1,3-dimethyl-6-phenyl-N-(pyridin-2-ylmethyl)pyrazolo[5,4-b]pyridine-4-carboxamide
CID 36714359

Frequently Asked Questions

What is the IUPAC name of 2-tert-butyl-7-phenyl-N-(pyridin-2-ylmethyl)pyrazolo[1,5-a]pyrimidine-6-carboxamide?
The IUPAC name of 2-tert-butyl-7-phenyl-N-(pyridin-2-ylmethyl)pyrazolo[1,5-a]pyrimidine-6-carboxamide (CID 3985689) is 2-tert-butyl-7-phenyl-N-(pyridin-2-ylmethyl)pyrazolo[1,5-a]pyrimidine-6-carboxamide.
What is the SMILES notation for 2-tert-butyl-7-phenyl-N-(pyridin-2-ylmethyl)pyrazolo[1,5-a]pyrimidine-6-carboxamide?
The canonical SMILES for 2-tert-butyl-7-phenyl-N-(pyridin-2-ylmethyl)pyrazolo[1,5-a]pyrimidine-6-carboxamide is CC(C)(C)c1cc2ncc(C(=O)NCc3ccccn3)c(-c3ccccc3)n2n1.
What is the InChIKey of 2-tert-butyl-7-phenyl-N-(pyridin-2-ylmethyl)pyrazolo[1,5-a]pyrimidine-6-carboxamide?
The InChIKey is JWUDACVWUASTJH-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H23N5O/c1-23(2,3)19-13-20-25-15-18(22(29)26-14-17-11-7-8-12-24-17)21(28(20)27-19)16-9-5-4-6-10-16/h4-13,15H,14H2,1-3H3,(H,26,29).
What are the key properties of 2-tert-butyl-7-phenyl-N-(pyridin-2-ylmethyl)pyrazolo[1,5-a]pyrimidine-6-carboxamide?
2-tert-butyl-7-phenyl-N-(pyridin-2-ylmethyl)pyrazolo[1,5-a]pyrimidine-6-carboxamide has a molecular weight of 385.47 g/mol, XLogP of 4.02, 4 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-tert-butyl-7-phenyl-N-(pyridin-2-ylmethyl)pyrazolo[1,5-a]pyrimidine-6-carboxamide is sourced from PubChem (CID 3985689), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).