7-[(5-chloro-2,3-dihydrothiophen-2-yl)sulfonyl]-3,6,8,9-tetrahydropyrazolo[3,4-c][2,7]naphthyridine

C13H13ClN4O2S2 — CID 89050764

IUPAC7-[(5-chloro-2,3-dihydrothiophen-2-yl)sulfonyl]-3,6,8,9-tetrahydropyrazolo[3,4-c][2,7]naphthyridine
SMILESO=S(=O)(C1CC=C(Cl)S1)N1CCc2c(cnc3[nH]ncc23)C1
InChIInChI=1S/C13H13ClN4O2S2/c14-11-1-2-12(21-11)22(19,20)18-4-3-9-8(7-18)5-15-13-10(9)6-16-17-13/h1,5-6,12H,2-4,7H2,(H,15,16,17)
InChIKeyPFRNQOKBPMQSLY-UHFFFAOYSA-N
MW356.86 g/mol
LogP2.19
Rot. Bonds2

About 7-[(5-chloro-2,3-dihydrothiophen-2-yl)sulfonyl]-3,6,8,9-tetrahydropyrazolo[3,4-c][2,7]naphthyridine

7-[(5-chloro-2,3-dihydrothiophen-2-yl)sulfonyl]-3,6,8,9-tetrahydropyrazolo[3,4-c][2,7]naphthyridine (PubChem CID 89050764) has the molecular formula C13H13ClN4O2S2 and a molecular weight of 356.86 g/mol. Its IUPAC name is 7-[(5-chloro-2,3-dihydrothiophen-2-yl)sulfonyl]-3,6,8,9-tetrahydropyrazolo[3,4-c][2,7]naphthyridine.

Molecular Properties

Compound Name7-[(5-chloro-2,3-dihydrothiophen-2-yl)sulfonyl]-3,6,8,9-tetrahydropyrazolo[3,4-c][2,7]naphthyridine
PubChem CID89050764
Molecular FormulaC13H13ClN4O2S2
Molecular Weight356.86 g/mol
Exact Mass356.02
IUPAC Name7-[(5-chloro-2,3-dihydrothiophen-2-yl)sulfonyl]-3,6,8,9-tetrahydropyrazolo[3,4-c][2,7]naphthyridine
SMILESO=S(=O)(C1CC=C(Cl)S1)N1CCc2c(cnc3[nH]ncc23)C1
InChIInChI=1S/C13H13ClN4O2S2/c14-11-1-2-12(21-11)22(19,20)18-4-3-9-8(7-18)5-15-13-10(9)6-16-17-13/h1,5-6,12H,2-4,7H2,(H,15,16,17)
InChIKeyPFRNQOKBPMQSLY-UHFFFAOYSA-N
XLogP2.19
TPSA78.95 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds2
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500356.86
LogP ≤ 52.19
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 7-[(5-chloro-2,3-dihydrothiophen-2-yl)sulfonyl]-3,6,8,9-tetrahydropyrazolo[3,4-c][2,7]naphthyridine?
The IUPAC name of 7-[(5-chloro-2,3-dihydrothiophen-2-yl)sulfonyl]-3,6,8,9-tetrahydropyrazolo[3,4-c][2,7]naphthyridine (CID 89050764) is 7-[(5-chloro-2,3-dihydrothiophen-2-yl)sulfonyl]-3,6,8,9-tetrahydropyrazolo[3,4-c][2,7]naphthyridine.
What is the SMILES notation for 7-[(5-chloro-2,3-dihydrothiophen-2-yl)sulfonyl]-3,6,8,9-tetrahydropyrazolo[3,4-c][2,7]naphthyridine?
The canonical SMILES for 7-[(5-chloro-2,3-dihydrothiophen-2-yl)sulfonyl]-3,6,8,9-tetrahydropyrazolo[3,4-c][2,7]naphthyridine is O=S(=O)(C1CC=C(Cl)S1)N1CCc2c(cnc3[nH]ncc23)C1.
What is the InChIKey of 7-[(5-chloro-2,3-dihydrothiophen-2-yl)sulfonyl]-3,6,8,9-tetrahydropyrazolo[3,4-c][2,7]naphthyridine?
The InChIKey is PFRNQOKBPMQSLY-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H13ClN4O2S2/c14-11-1-2-12(21-11)22(19,20)18-4-3-9-8(7-18)5-15-13-10(9)6-16-17-13/h1,5-6,12H,2-4,7H2,(H,15,16,17).
What are the key properties of 7-[(5-chloro-2,3-dihydrothiophen-2-yl)sulfonyl]-3,6,8,9-tetrahydropyrazolo[3,4-c][2,7]naphthyridine?
7-[(5-chloro-2,3-dihydrothiophen-2-yl)sulfonyl]-3,6,8,9-tetrahydropyrazolo[3,4-c][2,7]naphthyridine has a molecular weight of 356.86 g/mol, XLogP of 2.19, 2 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 7-[(5-chloro-2,3-dihydrothiophen-2-yl)sulfonyl]-3,6,8,9-tetrahydropyrazolo[3,4-c][2,7]naphthyridine is sourced from PubChem (CID 89050764), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).