N-(1H-indazol-6-yl)-7-thiophen-2-ylpyrazolo[1,5-a]pyrimidine-2-carboxamide

C18H12N6OS — CID 19615840

IUPACN-(1H-indazol-6-yl)-7-thiophen-2-ylpyrazolo[1,5-a]pyrimidine-2-carboxamide
SMILESO=C(Nc1ccc2cn[nH]c2c1)c1cc2nccc(-c3cccs3)n2n1
InChIInChI=1S/C18H12N6OS/c25-18(21-12-4-3-11-10-20-22-13(11)8-12)14-9-17-19-6-5-15(24(17)23-14)16-2-1-7-26-16/h1-10H,(H,20,22)(H,21,25)
InChIKeyHQQCIGJCXQCVCW-UHFFFAOYSA-N
MW360.40 g/mol
LogP3.59
Rot. Bonds3

About N-(1H-indazol-6-yl)-7-thiophen-2-ylpyrazolo[1,5-a]pyrimidine-2-carboxamide

N-(1H-indazol-6-yl)-7-thiophen-2-ylpyrazolo[1,5-a]pyrimidine-2-carboxamide (PubChem CID 19615840) has the molecular formula C18H12N6OS and a molecular weight of 360.40 g/mol. Its IUPAC name is N-(1H-indazol-6-yl)-7-thiophen-2-ylpyrazolo[1,5-a]pyrimidine-2-carboxamide.

Molecular Properties

Compound NameN-(1H-indazol-6-yl)-7-thiophen-2-ylpyrazolo[1,5-a]pyrimidine-2-carboxamide
PubChem CID19615840
Molecular FormulaC18H12N6OS
Molecular Weight360.40 g/mol
Exact Mass360.08
IUPAC NameN-(1H-indazol-6-yl)-7-thiophen-2-ylpyrazolo[1,5-a]pyrimidine-2-carboxamide
SMILESO=C(Nc1ccc2cn[nH]c2c1)c1cc2nccc(-c3cccs3)n2n1
InChIInChI=1S/C18H12N6OS/c25-18(21-12-4-3-11-10-20-22-13(11)8-12)14-9-17-19-6-5-15(24(17)23-14)16-2-1-7-26-16/h1-10H,(H,20,22)(H,21,25)
InChIKeyHQQCIGJCXQCVCW-UHFFFAOYSA-N
XLogP3.59
TPSA87.97 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds3
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500360.40
LogP ≤ 53.59
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

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Related Compounds

4-(4-thieno[2,3-d]pyrimidinylamino)-N-(4-((4-methyl-1-piperazinyl)methyl)phenyl)-1H-3-pyrazole carboxamide
CID 72194525
N-[4-[(4-methylpiperazin-1-yl)methyl]phenyl]-4-(thieno[3,2-d]pyrimidin-4-ylamino)-1H-pyrazole-5-carboxamide
CID 72195318
N-[(1R,3S)-3-[[5-fluoro-2-(5-fluoro-2H-pyrazolo[3,4-b]pyridin-3-yl)pyrimidin-4-yl]amino]cyclohexyl]thiophene-3-carboxamide
CID 89913832
US10100058, Example 108
CID 134539513
US10100058, Example 4
CID 134539764
US10100058, Example 105
CID 134540034
US10100058, Example 228
CID 134540119
N-(6-methyl-1-propylpyrazolo[3,4-b]quinolin-3-yl)thiophene-2-carboxamide
CID 1402347
N-(4-((4-methylpiperazin-1-yl)methyl)phenyl)-4-((6-methylthieno[2,3-d]pyrimidin-4-yl)amino)-1H-pyrazole-3-carboxamide
CID 72195454
N-[4-[(4-methylpiperazin-1-yl)methyl]phenyl]-4-[(5-methylthieno[2,3-d]pyrimidin-4-yl)amino]-1H-pyrazole-5-carboxamide
CID 72195457
4-[(6-ethylthieno[2,3-d]pyrimidin-4-yl)amino]-N-[4-[(4-methylpiperazin-1-yl)methyl]phenyl]-1H-pyrazole-5-carboxamide
CID 137641983
N-[4-(piperazin-1-ylmethyl)phenyl]-4-(thieno[2,3-d]pyrimidin-4-ylamino)-1H-pyrazole-5-carboxamide
CID 137656781

Frequently Asked Questions

What is the IUPAC name of N-(1H-indazol-6-yl)-7-thiophen-2-ylpyrazolo[1,5-a]pyrimidine-2-carboxamide?
The IUPAC name of N-(1H-indazol-6-yl)-7-thiophen-2-ylpyrazolo[1,5-a]pyrimidine-2-carboxamide (CID 19615840) is N-(1H-indazol-6-yl)-7-thiophen-2-ylpyrazolo[1,5-a]pyrimidine-2-carboxamide.
What is the SMILES notation for N-(1H-indazol-6-yl)-7-thiophen-2-ylpyrazolo[1,5-a]pyrimidine-2-carboxamide?
The canonical SMILES for N-(1H-indazol-6-yl)-7-thiophen-2-ylpyrazolo[1,5-a]pyrimidine-2-carboxamide is O=C(Nc1ccc2cn[nH]c2c1)c1cc2nccc(-c3cccs3)n2n1.
What is the InChIKey of N-(1H-indazol-6-yl)-7-thiophen-2-ylpyrazolo[1,5-a]pyrimidine-2-carboxamide?
The InChIKey is HQQCIGJCXQCVCW-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H12N6OS/c25-18(21-12-4-3-11-10-20-22-13(11)8-12)14-9-17-19-6-5-15(24(17)23-14)16-2-1-7-26-16/h1-10H,(H,20,22)(H,21,25).
What are the key properties of N-(1H-indazol-6-yl)-7-thiophen-2-ylpyrazolo[1,5-a]pyrimidine-2-carboxamide?
N-(1H-indazol-6-yl)-7-thiophen-2-ylpyrazolo[1,5-a]pyrimidine-2-carboxamide has a molecular weight of 360.40 g/mol, XLogP of 3.59, 3 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-(1H-indazol-6-yl)-7-thiophen-2-ylpyrazolo[1,5-a]pyrimidine-2-carboxamide is sourced from PubChem (CID 19615840), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).