N-(pyridin-3-ylmethyl)-5-thiophen-2-yl-7-(trifluoromethyl)-4,5,6,7-tetrahydropyrazolo[1,5-a]pyrimidine-3-carboxamide

C18H16F3N5OS — CID 2884028

IUPACN-(pyridin-3-ylmethyl)-5-thiophen-2-yl-7-(trifluoromethyl)-4,5,6,7-tetrahydropyrazolo[1,5-a]pyrimidine-3-carboxamide
SMILESO=C(NCc1cccnc1)c1cnn2c1NC(c1cccs1)CC2C(F)(F)F
InChIInChI=1S/C18H16F3N5OS/c19-18(20,21)15-7-13(14-4-2-6-28-14)25-16-12(10-24-26(15)16)17(27)23-9-11-3-1-5-22-8-11/h1-6,8,10,13,15,25H,7,9H2,(H,23,27)
InChIKeyGLNVTHRMCZGKIK-UHFFFAOYSA-N
MW407.42 g/mol
LogP3.93
Rot. Bonds4

About N-(pyridin-3-ylmethyl)-5-thiophen-2-yl-7-(trifluoromethyl)-4,5,6,7-tetrahydropyrazolo[1,5-a]pyrimidine-3-carboxamide

N-(pyridin-3-ylmethyl)-5-thiophen-2-yl-7-(trifluoromethyl)-4,5,6,7-tetrahydropyrazolo[1,5-a]pyrimidine-3-carboxamide (PubChem CID 2884028) has the molecular formula C18H16F3N5OS and a molecular weight of 407.42 g/mol. Its IUPAC name is N-(pyridin-3-ylmethyl)-5-thiophen-2-yl-7-(trifluoromethyl)-4,5,6,7-tetrahydropyrazolo[1,5-a]pyrimidine-3-carboxamide.

Molecular Properties

Compound NameN-(pyridin-3-ylmethyl)-5-thiophen-2-yl-7-(trifluoromethyl)-4,5,6,7-tetrahydropyrazolo[1,5-a]pyrimidine-3-carboxamide
PubChem CID2884028
Molecular FormulaC18H16F3N5OS
Molecular Weight407.42 g/mol
Exact Mass407.10
IUPAC NameN-(pyridin-3-ylmethyl)-5-thiophen-2-yl-7-(trifluoromethyl)-4,5,6,7-tetrahydropyrazolo[1,5-a]pyrimidine-3-carboxamide
SMILESO=C(NCc1cccnc1)c1cnn2c1NC(c1cccs1)CC2C(F)(F)F
InChIInChI=1S/C18H16F3N5OS/c19-18(20,21)15-7-13(14-4-2-6-28-14)25-16-12(10-24-26(15)16)17(27)23-9-11-3-1-5-22-8-11/h1-6,8,10,13,15,25H,7,9H2,(H,23,27)
InChIKeyGLNVTHRMCZGKIK-UHFFFAOYSA-N
XLogP3.93
TPSA71.84 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500407.42
LogP ≤ 53.93
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

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Related Compounds

5-Thiophen-2-yl-7-trifluoromethyl-4,5,6,7-tetrahydro-pyrazolo[1,5-a]pyrimidine-2-carboxylic acid (1,3-dimethyl-1H-pyrazol-4-ylmethyl)-amide
CID 645855
(4-Benzyl-piperazin-1-yl)-(5-thiophen-2-yl-7-trifluoromethyl-pyrazolo[1,5-a]pyrimidin-3-yl)-methanone
CID 1040117
(4-Methylpiperazin-1-yl)(5-(thiophen-2-yl)-7-(trifluoromethyl)pyrazolo[1,5-a]pyrimidin-3-yl)methanone
CID 1070421
4-(6-pyridin-3-ylpyrazolo[1,5-a]pyrimidin-3-yl)-N-(2,2,2-trifluoroethyl)thiophene-2-carboxamide
CID 25205097
US10100058, Example 148
CID 134539611
US10100058, Example 232
CID 134539755
[4-(Diphenylmethyl)-1-piperazinyl]-[5-thiophen-2-yl-7-(trifluoromethyl)-3-pyrazolo[1,5-a]pyrimidinyl]methanone
CID 1111037
1-methyl-3-(5-((1-methyl-4-((4-(trifluoromethylthio)phenyl)carbamoyl)-1H-pyrazol-5-ylamino)methyl)pyridin-2-yl)urea
CID 44442416
5-ethyl-1-(5-methyl-4-thiophen-2-ylpyrimidin-2-yl)-N-(pyridin-4-ylmethyl)pyrazole-4-carboxamide
CID 72163408
8-[4-[2-(4-thiophen-2-ylpiperidin-1-yl)ethyl]pyrazol-1-yl]-3H-pyrido[3,4-d]pyrimidin-4-one
CID 137175210
N-[(1R,6R)-6-amino-2,2-difluorocyclohexyl]-5-methyl-4-pyrazolo[1,5-a]pyrimidin-3-ylthiophene-2-carboxamide
CID 155555954
N-[(6-amino-2,4-dimethyl-3-pyridinyl)methyl]-1-[(7-aminothieno[2,3-c]pyridin-5-yl)methyl]pyrazole-4-carboxamide
CID 58081335

Frequently Asked Questions

What is the IUPAC name of N-(pyridin-3-ylmethyl)-5-thiophen-2-yl-7-(trifluoromethyl)-4,5,6,7-tetrahydropyrazolo[1,5-a]pyrimidine-3-carboxamide?
The IUPAC name of N-(pyridin-3-ylmethyl)-5-thiophen-2-yl-7-(trifluoromethyl)-4,5,6,7-tetrahydropyrazolo[1,5-a]pyrimidine-3-carboxamide (CID 2884028) is N-(pyridin-3-ylmethyl)-5-thiophen-2-yl-7-(trifluoromethyl)-4,5,6,7-tetrahydropyrazolo[1,5-a]pyrimidine-3-carboxamide.
What is the SMILES notation for N-(pyridin-3-ylmethyl)-5-thiophen-2-yl-7-(trifluoromethyl)-4,5,6,7-tetrahydropyrazolo[1,5-a]pyrimidine-3-carboxamide?
The canonical SMILES for N-(pyridin-3-ylmethyl)-5-thiophen-2-yl-7-(trifluoromethyl)-4,5,6,7-tetrahydropyrazolo[1,5-a]pyrimidine-3-carboxamide is O=C(NCc1cccnc1)c1cnn2c1NC(c1cccs1)CC2C(F)(F)F.
What is the InChIKey of N-(pyridin-3-ylmethyl)-5-thiophen-2-yl-7-(trifluoromethyl)-4,5,6,7-tetrahydropyrazolo[1,5-a]pyrimidine-3-carboxamide?
The InChIKey is GLNVTHRMCZGKIK-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H16F3N5OS/c19-18(20,21)15-7-13(14-4-2-6-28-14)25-16-12(10-24-26(15)16)17(27)23-9-11-3-1-5-22-8-11/h1-6,8,10,13,15,25H,7,9H2,(H,23,27).
What are the key properties of N-(pyridin-3-ylmethyl)-5-thiophen-2-yl-7-(trifluoromethyl)-4,5,6,7-tetrahydropyrazolo[1,5-a]pyrimidine-3-carboxamide?
N-(pyridin-3-ylmethyl)-5-thiophen-2-yl-7-(trifluoromethyl)-4,5,6,7-tetrahydropyrazolo[1,5-a]pyrimidine-3-carboxamide has a molecular weight of 407.42 g/mol, XLogP of 3.93, 4 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-(pyridin-3-ylmethyl)-5-thiophen-2-yl-7-(trifluoromethyl)-4,5,6,7-tetrahydropyrazolo[1,5-a]pyrimidine-3-carboxamide is sourced from PubChem (CID 2884028), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).