4-[6-(1-methylpyrazol-4-yl)pyrazolo[1,5-a]pyrimidin-3-yl]-N-pentan-3-ylthiophene-2-carboxamide

C20H22N6OS — CID 68775357

IUPAC4-[6-(1-methylpyrazol-4-yl)pyrazolo[1,5-a]pyrimidin-3-yl]-N-pentan-3-ylthiophene-2-carboxamide
SMILESCCC(CC)NC(=O)c1cc(-c2cnn3cc(-c4cnn(C)c4)cnc23)cs1
InChIInChI=1S/C20H22N6OS/c1-4-16(5-2)24-20(27)18-6-13(12-28-18)17-9-23-26-11-14(7-21-19(17)26)15-8-22-25(3)10-15/h6-12,16H,4-5H2,1-3H3,(H,24,27)
InChIKeyUULDXKQUNPVXTO-UHFFFAOYSA-N
MW394.50 g/mol
LogP3.78
Rot. Bonds6

About 4-[6-(1-methylpyrazol-4-yl)pyrazolo[1,5-a]pyrimidin-3-yl]-N-pentan-3-ylthiophene-2-carboxamide

4-[6-(1-methylpyrazol-4-yl)pyrazolo[1,5-a]pyrimidin-3-yl]-N-pentan-3-ylthiophene-2-carboxamide (PubChem CID 68775357) has the molecular formula C20H22N6OS and a molecular weight of 394.50 g/mol. Its IUPAC name is 4-[6-(1-methylpyrazol-4-yl)pyrazolo[1,5-a]pyrimidin-3-yl]-N-pentan-3-ylthiophene-2-carboxamide.

Molecular Properties

Compound Name4-[6-(1-methylpyrazol-4-yl)pyrazolo[1,5-a]pyrimidin-3-yl]-N-pentan-3-ylthiophene-2-carboxamide
PubChem CID68775357
Molecular FormulaC20H22N6OS
Molecular Weight394.50 g/mol
Exact Mass394.16
IUPAC Name4-[6-(1-methylpyrazol-4-yl)pyrazolo[1,5-a]pyrimidin-3-yl]-N-pentan-3-ylthiophene-2-carboxamide
SMILESCCC(CC)NC(=O)c1cc(-c2cnn3cc(-c4cnn(C)c4)cnc23)cs1
InChIInChI=1S/C20H22N6OS/c1-4-16(5-2)24-20(27)18-6-13(12-28-18)17-9-23-26-11-14(7-21-19(17)26)15-8-22-25(3)10-15/h6-12,16H,4-5H2,1-3H3,(H,24,27)
InChIKeyUULDXKQUNPVXTO-UHFFFAOYSA-N
XLogP3.78
TPSA77.11 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds6
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500394.50
LogP ≤ 53.78
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

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Frequently Asked Questions

What is the IUPAC name of 4-[6-(1-methylpyrazol-4-yl)pyrazolo[1,5-a]pyrimidin-3-yl]-N-pentan-3-ylthiophene-2-carboxamide?
The IUPAC name of 4-[6-(1-methylpyrazol-4-yl)pyrazolo[1,5-a]pyrimidin-3-yl]-N-pentan-3-ylthiophene-2-carboxamide (CID 68775357) is 4-[6-(1-methylpyrazol-4-yl)pyrazolo[1,5-a]pyrimidin-3-yl]-N-pentan-3-ylthiophene-2-carboxamide.
What is the SMILES notation for 4-[6-(1-methylpyrazol-4-yl)pyrazolo[1,5-a]pyrimidin-3-yl]-N-pentan-3-ylthiophene-2-carboxamide?
The canonical SMILES for 4-[6-(1-methylpyrazol-4-yl)pyrazolo[1,5-a]pyrimidin-3-yl]-N-pentan-3-ylthiophene-2-carboxamide is CCC(CC)NC(=O)c1cc(-c2cnn3cc(-c4cnn(C)c4)cnc23)cs1.
What is the InChIKey of 4-[6-(1-methylpyrazol-4-yl)pyrazolo[1,5-a]pyrimidin-3-yl]-N-pentan-3-ylthiophene-2-carboxamide?
The InChIKey is UULDXKQUNPVXTO-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H22N6OS/c1-4-16(5-2)24-20(27)18-6-13(12-28-18)17-9-23-26-11-14(7-21-19(17)26)15-8-22-25(3)10-15/h6-12,16H,4-5H2,1-3H3,(H,24,27).
What are the key properties of 4-[6-(1-methylpyrazol-4-yl)pyrazolo[1,5-a]pyrimidin-3-yl]-N-pentan-3-ylthiophene-2-carboxamide?
4-[6-(1-methylpyrazol-4-yl)pyrazolo[1,5-a]pyrimidin-3-yl]-N-pentan-3-ylthiophene-2-carboxamide has a molecular weight of 394.50 g/mol, XLogP of 3.78, 6 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[6-(1-methylpyrazol-4-yl)pyrazolo[1,5-a]pyrimidin-3-yl]-N-pentan-3-ylthiophene-2-carboxamide is sourced from PubChem (CID 68775357), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).