3-(3,6,8,9-tetrahydropyrazolo[4,3-f][2,7]naphthyridin-7-ylsulfonyl)benzonitrile

C16H13N5O2S — CID 59490509

IUPAC3-(3,6,8,9-tetrahydropyrazolo[4,3-f][2,7]naphthyridin-7-ylsulfonyl)benzonitrile
SMILESN#Cc1cccc(S(=O)(=O)N2CCc3c(cnc4[nH]ncc34)C2)c1
InChIInChI=1S/C16H13N5O2S/c17-7-11-2-1-3-13(6-11)24(22,23)21-5-4-14-12(10-21)8-18-16-15(14)9-19-20-16/h1-3,6,8-9H,4-5,10H2,(H,18,19,20)
InChIKeyFANUONVEXBDMKE-UHFFFAOYSA-N
MW339.38 g/mol
LogP1.58
Rot. Bonds2

About 3-(3,6,8,9-tetrahydropyrazolo[4,3-f][2,7]naphthyridin-7-ylsulfonyl)benzonitrile

3-(3,6,8,9-tetrahydropyrazolo[4,3-f][2,7]naphthyridin-7-ylsulfonyl)benzonitrile (PubChem CID 59490509) has the molecular formula C16H13N5O2S and a molecular weight of 339.38 g/mol. Its IUPAC name is 3-(3,6,8,9-tetrahydropyrazolo[4,3-f][2,7]naphthyridin-7-ylsulfonyl)benzonitrile.

Molecular Properties

Compound Name3-(3,6,8,9-tetrahydropyrazolo[4,3-f][2,7]naphthyridin-7-ylsulfonyl)benzonitrile
PubChem CID59490509
Molecular FormulaC16H13N5O2S
Molecular Weight339.38 g/mol
Exact Mass339.08
IUPAC Name3-(3,6,8,9-tetrahydropyrazolo[4,3-f][2,7]naphthyridin-7-ylsulfonyl)benzonitrile
SMILESN#Cc1cccc(S(=O)(=O)N2CCc3c(cnc4[nH]ncc34)C2)c1
InChIInChI=1S/C16H13N5O2S/c17-7-11-2-1-3-13(6-11)24(22,23)21-5-4-14-12(10-21)8-18-16-15(14)9-19-20-16/h1-3,6,8-9H,4-5,10H2,(H,18,19,20)
InChIKeyFANUONVEXBDMKE-UHFFFAOYSA-N
XLogP1.58
TPSA102.74 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds2
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500339.38
LogP ≤ 51.58
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

7-(3-methoxyphenyl)sulfonyl-3,6,8,9-tetrahydropyrazolo[3,4-c][2,7]naphthyridine
CID 59490871
7-(2-chlorophenyl)sulfonyl-3,6,8,9-tetrahydropyrazolo[3,4-c][2,7]naphthyridine
CID 59490752
7-[(5-chloro-2,3-dihydrothiophen-2-yl)sulfonyl]-3,6,8,9-tetrahydropyrazolo[3,4-c][2,7]naphthyridine
CID 89050764
3-[(3-oxo-1,4-diazepan-1-yl)sulfonyl]benzonitrile
CID 62898760
3-(4-ethylpiperazin-1-yl)sulfonylbenzonitrile
CID 7975716
3-[4-methyl-4-(methylamino)piperidin-1-yl]sulfonylbenzonitrile
CID 115304710
3-cyano-N-[3-(3-oxopiperazin-1-yl)sulfonylphenyl]benzenesulfonamide
CID 39875664
3-[(2-methyl-4-morpholin-4-yl-7,8-dihydro-5H-pyrido[4,3-d]pyrimidin-6-yl)sulfonyl]benzonitrile
CID 5260719
3-(4-pyridazin-4-ylpiperazin-1-yl)sulfonylbenzonitrile
CID 136571304
3-[4-(pyridin-2-ylmethyl)piperazin-1-yl]sulfonylbenzonitrile
CID 46646959
2-(3-nitrophenyl)-1-(3,6,8,9-tetrahydropyrazolo[4,3-f][2,7]naphthyridin-7-yl)ethanone
CID 160719627
3-(3,5-dimethylpiperazin-1-yl)sulfonylbenzonitrile
CID 63873096

Frequently Asked Questions

What is the IUPAC name of 3-(3,6,8,9-tetrahydropyrazolo[4,3-f][2,7]naphthyridin-7-ylsulfonyl)benzonitrile?
The IUPAC name of 3-(3,6,8,9-tetrahydropyrazolo[4,3-f][2,7]naphthyridin-7-ylsulfonyl)benzonitrile (CID 59490509) is 3-(3,6,8,9-tetrahydropyrazolo[4,3-f][2,7]naphthyridin-7-ylsulfonyl)benzonitrile.
What is the SMILES notation for 3-(3,6,8,9-tetrahydropyrazolo[4,3-f][2,7]naphthyridin-7-ylsulfonyl)benzonitrile?
The canonical SMILES for 3-(3,6,8,9-tetrahydropyrazolo[4,3-f][2,7]naphthyridin-7-ylsulfonyl)benzonitrile is N#Cc1cccc(S(=O)(=O)N2CCc3c(cnc4[nH]ncc34)C2)c1.
What is the InChIKey of 3-(3,6,8,9-tetrahydropyrazolo[4,3-f][2,7]naphthyridin-7-ylsulfonyl)benzonitrile?
The InChIKey is FANUONVEXBDMKE-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H13N5O2S/c17-7-11-2-1-3-13(6-11)24(22,23)21-5-4-14-12(10-21)8-18-16-15(14)9-19-20-16/h1-3,6,8-9H,4-5,10H2,(H,18,19,20).
What are the key properties of 3-(3,6,8,9-tetrahydropyrazolo[4,3-f][2,7]naphthyridin-7-ylsulfonyl)benzonitrile?
3-(3,6,8,9-tetrahydropyrazolo[4,3-f][2,7]naphthyridin-7-ylsulfonyl)benzonitrile has a molecular weight of 339.38 g/mol, XLogP of 1.58, 2 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(3,6,8,9-tetrahydropyrazolo[4,3-f][2,7]naphthyridin-7-ylsulfonyl)benzonitrile is sourced from PubChem (CID 59490509), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).