5,7-dimethyl-N-(6-thiophen-2-yl-3-pyridinyl)pyrazolo[1,5-a]pyrimidine-3-carboxamide

C18H15N5OS — CID 121327439

IUPAC5,7-dimethyl-N-(6-thiophen-2-yl-3-pyridinyl)pyrazolo[1,5-a]pyrimidine-3-carboxamide
SMILESCc1cc(C)n2ncc(C(=O)Nc3ccc(-c4cccs4)nc3)c2n1
InChIInChI=1S/C18H15N5OS/c1-11-8-12(2)23-17(21-11)14(10-20-23)18(24)22-13-5-6-15(19-9-13)16-4-3-7-25-16/h3-10H,1-2H3,(H,22,24)
InChIKeyOQUJYPPBRVAKFL-UHFFFAOYSA-N
MW349.42 g/mol
LogP3.72
Rot. Bonds3

About 5,7-dimethyl-N-(6-thiophen-2-yl-3-pyridinyl)pyrazolo[1,5-a]pyrimidine-3-carboxamide

5,7-dimethyl-N-(6-thiophen-2-yl-3-pyridinyl)pyrazolo[1,5-a]pyrimidine-3-carboxamide (PubChem CID 121327439) has the molecular formula C18H15N5OS and a molecular weight of 349.42 g/mol. Its IUPAC name is 5,7-dimethyl-N-(6-thiophen-2-yl-3-pyridinyl)pyrazolo[1,5-a]pyrimidine-3-carboxamide.

Molecular Properties

Compound Name5,7-dimethyl-N-(6-thiophen-2-yl-3-pyridinyl)pyrazolo[1,5-a]pyrimidine-3-carboxamide
PubChem CID121327439
Molecular FormulaC18H15N5OS
Molecular Weight349.42 g/mol
Exact Mass349.10
IUPAC Name5,7-dimethyl-N-(6-thiophen-2-yl-3-pyridinyl)pyrazolo[1,5-a]pyrimidine-3-carboxamide
SMILESCc1cc(C)n2ncc(C(=O)Nc3ccc(-c4cccs4)nc3)c2n1
InChIInChI=1S/C18H15N5OS/c1-11-8-12(2)23-17(21-11)14(10-20-23)18(24)22-13-5-6-15(19-9-13)16-4-3-7-25-16/h3-10H,1-2H3,(H,22,24)
InChIKeyOQUJYPPBRVAKFL-UHFFFAOYSA-N
XLogP3.72
TPSA72.18 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds3
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500349.42
LogP ≤ 53.72
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Related Compounds

N-(4-anilinophenyl)-5,7-dimethylpyrazolo[1,5-a]pyrimidine-3-carboxamide
CID 166204350
N-(2-aminophenyl)-5,7-dimethylpyrazolo[1,5-a]pyrimidine-3-carboxamide
CID 43621544
N-[4-(1H-imidazol-2-yl)phenyl]-5,7-dimethylpyrazolo[1,5-a]pyrimidine-3-carboxamide
CID 121327402
5,7-dimethyl-N-(4-pentoxyphenyl)pyrazolo[1,5-a]pyrimidine-3-carboxamide
CID 121327325
5,7-dimethyl-3-thiophen-2-ylpyrazolo[1,5-a]pyrimidine
CID 51345972
N-[2-(difluoromethoxy)phenyl]-5,7-dimethylpyrazolo[1,5-a]pyrimidine-3-carboxamide
CID 19440692
5,7-dimethyl-N-(2-methyl-1,3-benzoxazol-5-yl)pyrazolo[1,5-a]pyrimidine-3-carboxamide
CID 34979505
N-[4-(3-methoxyphenyl)phenyl]-5,7-dimethylpyrazolo[1,5-a]pyrimidine-3-carboxamide
CID 53316074
5,7-dimethyl-N-(3,4,5-trimethoxyphenyl)pyrazolo[1,5-a]pyrimidine-3-carboxamide
CID 20952848
5,7-dimethyl-N-[4-(pyridin-3-ylmethylsulfanyl)phenyl]pyrazolo[1,5-a]pyrimidine-3-carboxamide
CID 39985596
N-[3-[(2-ethylpyrazole-3-carbonyl)amino]phenyl]-5,7-dimethylpyrazolo[1,5-a]pyrimidine-3-carboxamide
CID 19440776
5,7-dimethyl-N-(2-pyrrolidin-1-ylphenyl)pyrazolo[1,5-a]pyrimidine-3-carboxamide
CID 39112162

Frequently Asked Questions

What is the IUPAC name of 5,7-dimethyl-N-(6-thiophen-2-yl-3-pyridinyl)pyrazolo[1,5-a]pyrimidine-3-carboxamide?
The IUPAC name of 5,7-dimethyl-N-(6-thiophen-2-yl-3-pyridinyl)pyrazolo[1,5-a]pyrimidine-3-carboxamide (CID 121327439) is 5,7-dimethyl-N-(6-thiophen-2-yl-3-pyridinyl)pyrazolo[1,5-a]pyrimidine-3-carboxamide.
What is the SMILES notation for 5,7-dimethyl-N-(6-thiophen-2-yl-3-pyridinyl)pyrazolo[1,5-a]pyrimidine-3-carboxamide?
The canonical SMILES for 5,7-dimethyl-N-(6-thiophen-2-yl-3-pyridinyl)pyrazolo[1,5-a]pyrimidine-3-carboxamide is Cc1cc(C)n2ncc(C(=O)Nc3ccc(-c4cccs4)nc3)c2n1.
What is the InChIKey of 5,7-dimethyl-N-(6-thiophen-2-yl-3-pyridinyl)pyrazolo[1,5-a]pyrimidine-3-carboxamide?
The InChIKey is OQUJYPPBRVAKFL-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H15N5OS/c1-11-8-12(2)23-17(21-11)14(10-20-23)18(24)22-13-5-6-15(19-9-13)16-4-3-7-25-16/h3-10H,1-2H3,(H,22,24).
What are the key properties of 5,7-dimethyl-N-(6-thiophen-2-yl-3-pyridinyl)pyrazolo[1,5-a]pyrimidine-3-carboxamide?
5,7-dimethyl-N-(6-thiophen-2-yl-3-pyridinyl)pyrazolo[1,5-a]pyrimidine-3-carboxamide has a molecular weight of 349.42 g/mol, XLogP of 3.72, 3 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 5,7-dimethyl-N-(6-thiophen-2-yl-3-pyridinyl)pyrazolo[1,5-a]pyrimidine-3-carboxamide is sourced from PubChem (CID 121327439), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).