6-[3-(4-chlorophenyl)-1,4,6,7-tetrahydropyrazolo[4,3-c]pyridin-5-yl]-2-methylsulfanylpyrimidin-4-amine

C17H17ClN6S — CID 10248738

IUPAC6-[3-(4-chlorophenyl)-1,4,6,7-tetrahydropyrazolo[4,3-c]pyridin-5-yl]-2-methylsulfanylpyrimidin-4-amine
SMILESCSc1nc(N)cc(N2CCc3[nH]nc(-c4ccc(Cl)cc4)c3C2)n1
InChIInChI=1S/C17H17ClN6S/c1-25-17-20-14(19)8-15(21-17)24-7-6-13-12(9-24)16(23-22-13)10-2-4-11(18)5-3-10/h2-5,8H,6-7,9H2,1H3,(H,22,23)(H2,19,20,21)
InChIKeyTVBJMMTWLPYJMW-UHFFFAOYSA-N
MW372.89 g/mol
LogP3.39
Rot. Bonds3

About 6-[3-(4-chlorophenyl)-1,4,6,7-tetrahydropyrazolo[4,3-c]pyridin-5-yl]-2-methylsulfanylpyrimidin-4-amine

6-[3-(4-chlorophenyl)-1,4,6,7-tetrahydropyrazolo[4,3-c]pyridin-5-yl]-2-methylsulfanylpyrimidin-4-amine (PubChem CID 10248738) has the molecular formula C17H17ClN6S and a molecular weight of 372.89 g/mol. Its IUPAC name is 6-[3-(4-chlorophenyl)-1,4,6,7-tetrahydropyrazolo[4,3-c]pyridin-5-yl]-2-methylsulfanylpyrimidin-4-amine.

Molecular Properties

Compound Name6-[3-(4-chlorophenyl)-1,4,6,7-tetrahydropyrazolo[4,3-c]pyridin-5-yl]-2-methylsulfanylpyrimidin-4-amine
PubChem CID10248738
Molecular FormulaC17H17ClN6S
Molecular Weight372.89 g/mol
Exact Mass372.09
IUPAC Name6-[3-(4-chlorophenyl)-1,4,6,7-tetrahydropyrazolo[4,3-c]pyridin-5-yl]-2-methylsulfanylpyrimidin-4-amine
SMILESCSc1nc(N)cc(N2CCc3[nH]nc(-c4ccc(Cl)cc4)c3C2)n1
InChIInChI=1S/C17H17ClN6S/c1-25-17-20-14(19)8-15(21-17)24-7-6-13-12(9-24)16(23-22-13)10-2-4-11(18)5-3-10/h2-5,8H,6-7,9H2,1H3,(H,22,23)(H2,19,20,21)
InChIKeyTVBJMMTWLPYJMW-UHFFFAOYSA-N
XLogP3.39
TPSA83.72 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds3
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500372.89
LogP ≤ 53.39
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of 6-[3-(4-chlorophenyl)-1,4,6,7-tetrahydropyrazolo[4,3-c]pyridin-5-yl]-2-methylsulfanylpyrimidin-4-amine?
The IUPAC name of 6-[3-(4-chlorophenyl)-1,4,6,7-tetrahydropyrazolo[4,3-c]pyridin-5-yl]-2-methylsulfanylpyrimidin-4-amine (CID 10248738) is 6-[3-(4-chlorophenyl)-1,4,6,7-tetrahydropyrazolo[4,3-c]pyridin-5-yl]-2-methylsulfanylpyrimidin-4-amine.
What is the SMILES notation for 6-[3-(4-chlorophenyl)-1,4,6,7-tetrahydropyrazolo[4,3-c]pyridin-5-yl]-2-methylsulfanylpyrimidin-4-amine?
The canonical SMILES for 6-[3-(4-chlorophenyl)-1,4,6,7-tetrahydropyrazolo[4,3-c]pyridin-5-yl]-2-methylsulfanylpyrimidin-4-amine is CSc1nc(N)cc(N2CCc3[nH]nc(-c4ccc(Cl)cc4)c3C2)n1.
What is the InChIKey of 6-[3-(4-chlorophenyl)-1,4,6,7-tetrahydropyrazolo[4,3-c]pyridin-5-yl]-2-methylsulfanylpyrimidin-4-amine?
The InChIKey is TVBJMMTWLPYJMW-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H17ClN6S/c1-25-17-20-14(19)8-15(21-17)24-7-6-13-12(9-24)16(23-22-13)10-2-4-11(18)5-3-10/h2-5,8H,6-7,9H2,1H3,(H,22,23)(H2,19,20,21).
What are the key properties of 6-[3-(4-chlorophenyl)-1,4,6,7-tetrahydropyrazolo[4,3-c]pyridin-5-yl]-2-methylsulfanylpyrimidin-4-amine?
6-[3-(4-chlorophenyl)-1,4,6,7-tetrahydropyrazolo[4,3-c]pyridin-5-yl]-2-methylsulfanylpyrimidin-4-amine has a molecular weight of 372.89 g/mol, XLogP of 3.39, 3 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 6-[3-(4-chlorophenyl)-1,4,6,7-tetrahydropyrazolo[4,3-c]pyridin-5-yl]-2-methylsulfanylpyrimidin-4-amine is sourced from PubChem (CID 10248738), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).