6-(4-chlorophenyl)-4-(1,4,6,7-tetrahydropyrazolo[4,5-c]pyridin-5-yl)thieno[3,2-d]pyrimidine

C18H14ClN5S — CID 133288356

IUPAC6-(4-chlorophenyl)-4-(1,4,6,7-tetrahydropyrazolo[4,5-c]pyridin-5-yl)thieno[3,2-d]pyrimidine
SMILESClc1ccc(-c2cc3ncnc(N4CCc5[nH]ncc5C4)c3s2)cc1
InChIInChI=1S/C18H14ClN5S/c19-13-3-1-11(2-4-13)16-7-15-17(25-16)18(21-10-20-15)24-6-5-14-12(9-24)8-22-23-14/h1-4,7-8,10H,5-6,9H2,(H,22,23)
InChIKeyNOFQMDVFBBVNNF-UHFFFAOYSA-N
MW367.87 g/mol
LogP4.30
Rot. Bonds2

About 6-(4-chlorophenyl)-4-(1,4,6,7-tetrahydropyrazolo[4,5-c]pyridin-5-yl)thieno[3,2-d]pyrimidine

6-(4-chlorophenyl)-4-(1,4,6,7-tetrahydropyrazolo[4,5-c]pyridin-5-yl)thieno[3,2-d]pyrimidine (PubChem CID 133288356) has the molecular formula C18H14ClN5S and a molecular weight of 367.87 g/mol. Its IUPAC name is 6-(4-chlorophenyl)-4-(1,4,6,7-tetrahydropyrazolo[4,5-c]pyridin-5-yl)thieno[3,2-d]pyrimidine.

Molecular Properties

Compound Name6-(4-chlorophenyl)-4-(1,4,6,7-tetrahydropyrazolo[4,5-c]pyridin-5-yl)thieno[3,2-d]pyrimidine
PubChem CID133288356
Molecular FormulaC18H14ClN5S
Molecular Weight367.87 g/mol
Exact Mass367.07
IUPAC Name6-(4-chlorophenyl)-4-(1,4,6,7-tetrahydropyrazolo[4,5-c]pyridin-5-yl)thieno[3,2-d]pyrimidine
SMILESClc1ccc(-c2cc3ncnc(N4CCc5[nH]ncc5C4)c3s2)cc1
InChIInChI=1S/C18H14ClN5S/c19-13-3-1-11(2-4-13)16-7-15-17(25-16)18(21-10-20-15)24-6-5-14-12(9-24)8-22-23-14/h1-4,7-8,10H,5-6,9H2,(H,22,23)
InChIKeyNOFQMDVFBBVNNF-UHFFFAOYSA-N
XLogP4.30
TPSA57.70 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds2
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500367.87
LogP ≤ 54.30
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 6-(4-chlorophenyl)-4-(1,4,6,7-tetrahydropyrazolo[4,5-c]pyridin-5-yl)thieno[3,2-d]pyrimidine?
The IUPAC name of 6-(4-chlorophenyl)-4-(1,4,6,7-tetrahydropyrazolo[4,5-c]pyridin-5-yl)thieno[3,2-d]pyrimidine (CID 133288356) is 6-(4-chlorophenyl)-4-(1,4,6,7-tetrahydropyrazolo[4,5-c]pyridin-5-yl)thieno[3,2-d]pyrimidine.
What is the SMILES notation for 6-(4-chlorophenyl)-4-(1,4,6,7-tetrahydropyrazolo[4,5-c]pyridin-5-yl)thieno[3,2-d]pyrimidine?
The canonical SMILES for 6-(4-chlorophenyl)-4-(1,4,6,7-tetrahydropyrazolo[4,5-c]pyridin-5-yl)thieno[3,2-d]pyrimidine is Clc1ccc(-c2cc3ncnc(N4CCc5[nH]ncc5C4)c3s2)cc1.
What is the InChIKey of 6-(4-chlorophenyl)-4-(1,4,6,7-tetrahydropyrazolo[4,5-c]pyridin-5-yl)thieno[3,2-d]pyrimidine?
The InChIKey is NOFQMDVFBBVNNF-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H14ClN5S/c19-13-3-1-11(2-4-13)16-7-15-17(25-16)18(21-10-20-15)24-6-5-14-12(9-24)8-22-23-14/h1-4,7-8,10H,5-6,9H2,(H,22,23).
What are the key properties of 6-(4-chlorophenyl)-4-(1,4,6,7-tetrahydropyrazolo[4,5-c]pyridin-5-yl)thieno[3,2-d]pyrimidine?
6-(4-chlorophenyl)-4-(1,4,6,7-tetrahydropyrazolo[4,5-c]pyridin-5-yl)thieno[3,2-d]pyrimidine has a molecular weight of 367.87 g/mol, XLogP of 4.30, 2 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 6-(4-chlorophenyl)-4-(1,4,6,7-tetrahydropyrazolo[4,5-c]pyridin-5-yl)thieno[3,2-d]pyrimidine is sourced from PubChem (CID 133288356), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).