2,5-dimethyl-N-(pyridin-3-ylmethyl)-3-thiophen-2-ylpyrazolo[1,5-a]pyrimidin-7-amine

C18H17N5S — CID 95802443

IUPAC2,5-dimethyl-N-(pyridin-3-ylmethyl)-3-thiophen-2-ylpyrazolo[1,5-a]pyrimidin-7-amine
SMILESCc1cc(NCc2cccnc2)n2nc(C)c(-c3cccs3)c2n1
InChIInChI=1S/C18H17N5S/c1-12-9-16(20-11-14-5-3-7-19-10-14)23-18(21-12)17(13(2)22-23)15-6-4-8-24-15/h3-10,20H,11H2,1-2H3
InChIKeyXFGHBFSTNAEDGA-UHFFFAOYSA-N
MW335.44 g/mol
LogP4.08
Rot. Bonds4

About 2,5-dimethyl-N-(pyridin-3-ylmethyl)-3-thiophen-2-ylpyrazolo[1,5-a]pyrimidin-7-amine

2,5-dimethyl-N-(pyridin-3-ylmethyl)-3-thiophen-2-ylpyrazolo[1,5-a]pyrimidin-7-amine (PubChem CID 95802443) has the molecular formula C18H17N5S and a molecular weight of 335.44 g/mol. Its IUPAC name is 2,5-dimethyl-N-(pyridin-3-ylmethyl)-3-thiophen-2-ylpyrazolo[1,5-a]pyrimidin-7-amine.

Molecular Properties

Compound Name2,5-dimethyl-N-(pyridin-3-ylmethyl)-3-thiophen-2-ylpyrazolo[1,5-a]pyrimidin-7-amine
PubChem CID95802443
Molecular FormulaC18H17N5S
Molecular Weight335.44 g/mol
Exact Mass335.12
IUPAC Name2,5-dimethyl-N-(pyridin-3-ylmethyl)-3-thiophen-2-ylpyrazolo[1,5-a]pyrimidin-7-amine
SMILESCc1cc(NCc2cccnc2)n2nc(C)c(-c3cccs3)c2n1
InChIInChI=1S/C18H17N5S/c1-12-9-16(20-11-14-5-3-7-19-10-14)23-18(21-12)17(13(2)22-23)15-6-4-8-24-15/h3-10,20H,11H2,1-2H3
InChIKeyXFGHBFSTNAEDGA-UHFFFAOYSA-N
XLogP4.08
TPSA55.11 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500335.44
LogP ≤ 54.08
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Related Compounds

N-((2-aminopyrimidin-5-yl)methyl)-5-(2,6-difluorophenyl)-3-ethylpyrazolo(1,5-a)pyrimidin-7-amine
CID 44629554
3-(benzenesulfonyl)-N-methyl-7,8-dihydro-6H-cyclopenta[e]pyrazolo[1,5-a]pyrimidin-2-amine
CID 44156628
1,3-Dimethyl-6-(2-thienyl)-4-(trifluoromethyl)-1H-pyrazolo(3,4-B)pyridine
CID 2164249
6-[(4-Fluorophenyl)methylsulfanyl]-3-pyridin-3-yl-[1,2,4]triazolo[4,3-b]pyridazine
CID 7190719
4-[3-(Thiophen-3-yl)pyrazolo[1,5-a]pyrimidin-6-yl]pyridine
CID 5329467
6-Cyclohexyl-3-(thiophen-3-yl)pyrazolo[1,5-a]pyrimidine
CID 5329472
1-[1-({4-[3-phenyl-5-(1,3-thiazol-2-yl)pyridin-2-yl]phenyl}methyl)piperidin-4-yl]-1H-pyrazolo[3,4-d]pyrimidin-4-amine
CID 24971394
3-(6-{[(1s)-1-(4-Fluorophenyl)ethyl]amino}pyrimidin-4-Yl)pyrazolo[1,5-A]pyrimidin-2-Amine
CID 44159834
(R)-3-(6-(1-(4-fluorophenyl)butylamino)pyrimidin-4-yl)pyrazolo[1,5-a]pyrimidin-2-amine
CID 44159000
(R)-3-(6-(1-(4-fluorophenyl)ethylamino)pyrimidin-4-yl)pyrazolo[1,5-a]pyrimidin-2-amine
CID 44160207
US10100058, Example 108
CID 134539513
US10100058, Example 4
CID 134539764

Frequently Asked Questions

What is the IUPAC name of 2,5-dimethyl-N-(pyridin-3-ylmethyl)-3-thiophen-2-ylpyrazolo[1,5-a]pyrimidin-7-amine?
The IUPAC name of 2,5-dimethyl-N-(pyridin-3-ylmethyl)-3-thiophen-2-ylpyrazolo[1,5-a]pyrimidin-7-amine (CID 95802443) is 2,5-dimethyl-N-(pyridin-3-ylmethyl)-3-thiophen-2-ylpyrazolo[1,5-a]pyrimidin-7-amine.
What is the SMILES notation for 2,5-dimethyl-N-(pyridin-3-ylmethyl)-3-thiophen-2-ylpyrazolo[1,5-a]pyrimidin-7-amine?
The canonical SMILES for 2,5-dimethyl-N-(pyridin-3-ylmethyl)-3-thiophen-2-ylpyrazolo[1,5-a]pyrimidin-7-amine is Cc1cc(NCc2cccnc2)n2nc(C)c(-c3cccs3)c2n1.
What is the InChIKey of 2,5-dimethyl-N-(pyridin-3-ylmethyl)-3-thiophen-2-ylpyrazolo[1,5-a]pyrimidin-7-amine?
The InChIKey is XFGHBFSTNAEDGA-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H17N5S/c1-12-9-16(20-11-14-5-3-7-19-10-14)23-18(21-12)17(13(2)22-23)15-6-4-8-24-15/h3-10,20H,11H2,1-2H3.
What are the key properties of 2,5-dimethyl-N-(pyridin-3-ylmethyl)-3-thiophen-2-ylpyrazolo[1,5-a]pyrimidin-7-amine?
2,5-dimethyl-N-(pyridin-3-ylmethyl)-3-thiophen-2-ylpyrazolo[1,5-a]pyrimidin-7-amine has a molecular weight of 335.44 g/mol, XLogP of 4.08, 4 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2,5-dimethyl-N-(pyridin-3-ylmethyl)-3-thiophen-2-ylpyrazolo[1,5-a]pyrimidin-7-amine is sourced from PubChem (CID 95802443), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).