7-(1-methylimidazol-4-yl)sulfonyl-3-(1-methylpyrazol-4-yl)-8,9-dihydro-6H-pyrido[4,3-b][1,8]naphthyridine

C19H19N7O2S — CID 163357484

IUPAC7-(1-methylimidazol-4-yl)sulfonyl-3-(1-methylpyrazol-4-yl)-8,9-dihydro-6H-pyrido[4,3-b][1,8]naphthyridine
SMILESCn1cnc(S(=O)(=O)N2CCc3nc4ncc(-c5cnn(C)c5)cc4cc3C2)c1
InChIInChI=1S/C19H19N7O2S/c1-24-11-18(21-12-24)29(27,28)26-4-3-17-15(10-26)6-13-5-14(7-20-19(13)23-17)16-8-22-25(2)9-16/h5-9,11-12H,3-4,10H2,1-2H3
InChIKeyPUGZYLQUDIPECN-UHFFFAOYSA-N
MW409.48 g/mol
LogP1.51
Rot. Bonds3

About 7-(1-methylimidazol-4-yl)sulfonyl-3-(1-methylpyrazol-4-yl)-8,9-dihydro-6H-pyrido[4,3-b][1,8]naphthyridine

7-(1-methylimidazol-4-yl)sulfonyl-3-(1-methylpyrazol-4-yl)-8,9-dihydro-6H-pyrido[4,3-b][1,8]naphthyridine (PubChem CID 163357484) has the molecular formula C19H19N7O2S and a molecular weight of 409.48 g/mol. Its IUPAC name is 7-(1-methylimidazol-4-yl)sulfonyl-3-(1-methylpyrazol-4-yl)-8,9-dihydro-6H-pyrido[4,3-b][1,8]naphthyridine.

Molecular Properties

Compound Name7-(1-methylimidazol-4-yl)sulfonyl-3-(1-methylpyrazol-4-yl)-8,9-dihydro-6H-pyrido[4,3-b][1,8]naphthyridine
PubChem CID163357484
Molecular FormulaC19H19N7O2S
Molecular Weight409.48 g/mol
Exact Mass409.13
IUPAC Name7-(1-methylimidazol-4-yl)sulfonyl-3-(1-methylpyrazol-4-yl)-8,9-dihydro-6H-pyrido[4,3-b][1,8]naphthyridine
SMILESCn1cnc(S(=O)(=O)N2CCc3nc4ncc(-c5cnn(C)c5)cc4cc3C2)c1
InChIInChI=1S/C19H19N7O2S/c1-24-11-18(21-12-24)29(27,28)26-4-3-17-15(10-26)6-13-5-14(7-20-19(13)23-17)16-8-22-25(2)9-16/h5-9,11-12H,3-4,10H2,1-2H3
InChIKeyPUGZYLQUDIPECN-UHFFFAOYSA-N
XLogP1.51
TPSA98.80 Ų
H-Bond Donors
H-Bond Acceptors8
Rotatable Bonds3
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500409.48
LogP ≤ 51.51
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 108

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Frequently Asked Questions

What is the IUPAC name of 7-(1-methylimidazol-4-yl)sulfonyl-3-(1-methylpyrazol-4-yl)-8,9-dihydro-6H-pyrido[4,3-b][1,8]naphthyridine?
The IUPAC name of 7-(1-methylimidazol-4-yl)sulfonyl-3-(1-methylpyrazol-4-yl)-8,9-dihydro-6H-pyrido[4,3-b][1,8]naphthyridine (CID 163357484) is 7-(1-methylimidazol-4-yl)sulfonyl-3-(1-methylpyrazol-4-yl)-8,9-dihydro-6H-pyrido[4,3-b][1,8]naphthyridine.
What is the SMILES notation for 7-(1-methylimidazol-4-yl)sulfonyl-3-(1-methylpyrazol-4-yl)-8,9-dihydro-6H-pyrido[4,3-b][1,8]naphthyridine?
The canonical SMILES for 7-(1-methylimidazol-4-yl)sulfonyl-3-(1-methylpyrazol-4-yl)-8,9-dihydro-6H-pyrido[4,3-b][1,8]naphthyridine is Cn1cnc(S(=O)(=O)N2CCc3nc4ncc(-c5cnn(C)c5)cc4cc3C2)c1.
What is the InChIKey of 7-(1-methylimidazol-4-yl)sulfonyl-3-(1-methylpyrazol-4-yl)-8,9-dihydro-6H-pyrido[4,3-b][1,8]naphthyridine?
The InChIKey is PUGZYLQUDIPECN-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H19N7O2S/c1-24-11-18(21-12-24)29(27,28)26-4-3-17-15(10-26)6-13-5-14(7-20-19(13)23-17)16-8-22-25(2)9-16/h5-9,11-12H,3-4,10H2,1-2H3.
What are the key properties of 7-(1-methylimidazol-4-yl)sulfonyl-3-(1-methylpyrazol-4-yl)-8,9-dihydro-6H-pyrido[4,3-b][1,8]naphthyridine?
7-(1-methylimidazol-4-yl)sulfonyl-3-(1-methylpyrazol-4-yl)-8,9-dihydro-6H-pyrido[4,3-b][1,8]naphthyridine has a molecular weight of 409.48 g/mol, XLogP of 1.51, 3 rotatable bonds, 0 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for 7-(1-methylimidazol-4-yl)sulfonyl-3-(1-methylpyrazol-4-yl)-8,9-dihydro-6H-pyrido[4,3-b][1,8]naphthyridine is sourced from PubChem (CID 163357484), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).