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

C17H16N6OS — CID 68777548

IUPACN-ethyl-4-[6-(1-methylpyrazol-4-yl)pyrazolo[1,5-a]pyrimidin-3-yl]thiophene-2-carboxamide
SMILESCCNC(=O)c1cc(-c2cnn3cc(-c4cnn(C)c4)cnc23)cs1
InChIInChI=1S/C17H16N6OS/c1-3-18-17(24)15-4-11(10-25-15)14-7-21-23-9-12(5-19-16(14)23)13-6-20-22(2)8-13/h4-10H,3H2,1-2H3,(H,18,24)
InChIKeyVMVRWXBRGRRERO-UHFFFAOYSA-N
MW352.42 g/mol
LogP2.61
Rot. Bonds4

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

N-ethyl-4-[6-(1-methylpyrazol-4-yl)pyrazolo[1,5-a]pyrimidin-3-yl]thiophene-2-carboxamide (PubChem CID 68777548) has the molecular formula C17H16N6OS and a molecular weight of 352.42 g/mol. Its IUPAC name is N-ethyl-4-[6-(1-methylpyrazol-4-yl)pyrazolo[1,5-a]pyrimidin-3-yl]thiophene-2-carboxamide.

Molecular Properties

Compound NameN-ethyl-4-[6-(1-methylpyrazol-4-yl)pyrazolo[1,5-a]pyrimidin-3-yl]thiophene-2-carboxamide
PubChem CID68777548
Molecular FormulaC17H16N6OS
Molecular Weight352.42 g/mol
Exact Mass352.11
IUPAC NameN-ethyl-4-[6-(1-methylpyrazol-4-yl)pyrazolo[1,5-a]pyrimidin-3-yl]thiophene-2-carboxamide
SMILESCCNC(=O)c1cc(-c2cnn3cc(-c4cnn(C)c4)cnc23)cs1
InChIInChI=1S/C17H16N6OS/c1-3-18-17(24)15-4-11(10-25-15)14-7-21-23-9-12(5-19-16(14)23)13-6-20-22(2)8-13/h4-10H,3H2,1-2H3,(H,18,24)
InChIKeyVMVRWXBRGRRERO-UHFFFAOYSA-N
XLogP2.61
TPSA77.11 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds4
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500352.42
LogP ≤ 52.61
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

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Related Compounds

1-[3-(4-Methylpiperazin-1-yl)propyl]-4-[3-(thiophen-3-yl)pyrazolo[1,5-a]pyrimidin-6-yl]-1,2-dihydropyridin-2-one
CID 5329471
N-((1R,6R)-6-Amino-2,2-difluorocyclohexyl)-5-methyl-4-(6-(1-methyl-1H-pyrazol-4-yl)pyrazolo[1,5-a]pyrimidin-3-yl)thiophene-2-carboxamide
CID 25141108
N-[(1R,2S)-2-aminocyclohexyl]-4-[6-(1-methylpyrazol-4-yl)pyrazolo[1,5-a]pyrimidin-3-yl]thiophene-2-carboxamide
CID 59603842
Mark-IN-4
CID 68776463
US10100058, Example 108
CID 134539513
US10100058, Example 4
CID 134539764
US10100058, Example 229
CID 134539886
US10100058, Example 105
CID 134540034
US10100058, Example 315
CID 134540047
US10100058, Example 225
CID 134540086
US10100058, Example 228
CID 134540119
US10100058, Example 316
CID 134540172

Frequently Asked Questions

What is the IUPAC name of N-ethyl-4-[6-(1-methylpyrazol-4-yl)pyrazolo[1,5-a]pyrimidin-3-yl]thiophene-2-carboxamide?
The IUPAC name of N-ethyl-4-[6-(1-methylpyrazol-4-yl)pyrazolo[1,5-a]pyrimidin-3-yl]thiophene-2-carboxamide (CID 68777548) is N-ethyl-4-[6-(1-methylpyrazol-4-yl)pyrazolo[1,5-a]pyrimidin-3-yl]thiophene-2-carboxamide.
What is the SMILES notation for N-ethyl-4-[6-(1-methylpyrazol-4-yl)pyrazolo[1,5-a]pyrimidin-3-yl]thiophene-2-carboxamide?
The canonical SMILES for N-ethyl-4-[6-(1-methylpyrazol-4-yl)pyrazolo[1,5-a]pyrimidin-3-yl]thiophene-2-carboxamide is CCNC(=O)c1cc(-c2cnn3cc(-c4cnn(C)c4)cnc23)cs1.
What is the InChIKey of N-ethyl-4-[6-(1-methylpyrazol-4-yl)pyrazolo[1,5-a]pyrimidin-3-yl]thiophene-2-carboxamide?
The InChIKey is VMVRWXBRGRRERO-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H16N6OS/c1-3-18-17(24)15-4-11(10-25-15)14-7-21-23-9-12(5-19-16(14)23)13-6-20-22(2)8-13/h4-10H,3H2,1-2H3,(H,18,24).
What are the key properties of N-ethyl-4-[6-(1-methylpyrazol-4-yl)pyrazolo[1,5-a]pyrimidin-3-yl]thiophene-2-carboxamide?
N-ethyl-4-[6-(1-methylpyrazol-4-yl)pyrazolo[1,5-a]pyrimidin-3-yl]thiophene-2-carboxamide has a molecular weight of 352.42 g/mol, XLogP of 2.61, 4 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for N-ethyl-4-[6-(1-methylpyrazol-4-yl)pyrazolo[1,5-a]pyrimidin-3-yl]thiophene-2-carboxamide is sourced from PubChem (CID 68777548), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).