2-[1-(1-methylimidazol-4-yl)sulfonylpiperidin-4-yl]-6-pyridin-4-yl-1,8-naphthyridine

C22H22N6O2S — CID 155975409

IUPAC2-[1-(1-methylimidazol-4-yl)sulfonylpiperidin-4-yl]-6-pyridin-4-yl-1,8-naphthyridine
SMILESCn1cnc(S(=O)(=O)N2CCC(c3ccc4cc(-c5ccncc5)cnc4n3)CC2)c1
InChIInChI=1S/C22H22N6O2S/c1-27-14-21(25-15-27)31(29,30)28-10-6-17(7-11-28)20-3-2-18-12-19(13-24-22(18)26-20)16-4-8-23-9-5-16/h2-5,8-9,12-15,17H,6-7,10-11H2,1H3
InChIKeyMKHICOVPPZOYQH-UHFFFAOYSA-N
MW434.53 g/mol
LogP2.99
Rot. Bonds4

About 2-[1-(1-methylimidazol-4-yl)sulfonylpiperidin-4-yl]-6-pyridin-4-yl-1,8-naphthyridine

2-[1-(1-methylimidazol-4-yl)sulfonylpiperidin-4-yl]-6-pyridin-4-yl-1,8-naphthyridine (PubChem CID 155975409) has the molecular formula C22H22N6O2S and a molecular weight of 434.53 g/mol. Its IUPAC name is 2-[1-(1-methylimidazol-4-yl)sulfonylpiperidin-4-yl]-6-pyridin-4-yl-1,8-naphthyridine.

Molecular Properties

Compound Name2-[1-(1-methylimidazol-4-yl)sulfonylpiperidin-4-yl]-6-pyridin-4-yl-1,8-naphthyridine
PubChem CID155975409
Molecular FormulaC22H22N6O2S
Molecular Weight434.53 g/mol
Exact Mass434.15
IUPAC Name2-[1-(1-methylimidazol-4-yl)sulfonylpiperidin-4-yl]-6-pyridin-4-yl-1,8-naphthyridine
SMILESCn1cnc(S(=O)(=O)N2CCC(c3ccc4cc(-c5ccncc5)cnc4n3)CC2)c1
InChIInChI=1S/C22H22N6O2S/c1-27-14-21(25-15-27)31(29,30)28-10-6-17(7-11-28)20-3-2-18-12-19(13-24-22(18)26-20)16-4-8-23-9-5-16/h2-5,8-9,12-15,17H,6-7,10-11H2,1H3
InChIKeyMKHICOVPPZOYQH-UHFFFAOYSA-N
XLogP2.99
TPSA93.87 Ų
H-Bond Donors
H-Bond Acceptors7
Rotatable Bonds4
Heavy Atoms31
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500434.53
LogP ≤ 52.99
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 107

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Related Compounds

(2-methylpyrazol-3-yl)-[4-(6-pyridin-4-yl-1,8-naphthyridin-2-yl)piperidin-1-yl]methanone
CID 155975284
(3-methylimidazol-4-yl)-[4-(6-pyridin-4-yl-1,8-naphthyridin-2-yl)piperidin-1-yl]methanone
CID 155975312
(1-methyltriazol-4-yl)-[4-(6-pyridin-4-yl-1,8-naphthyridin-2-yl)piperidin-1-yl]methanone
CID 155975295
3-[[1-(1-methylimidazol-4-yl)sulfonylpiperidin-4-yl]methyl]-6-pyridin-4-ylpyrimidin-4-one
CID 126942550
1-(4-methylpiperidin-1-yl)-2-[4-(6-pyridin-4-yl-1,8-naphthyridin-2-yl)piperidin-1-yl]ethanone
CID 163346995
3-[4-(6-pyridin-4-yl-1,8-naphthyridin-2-yl)piperidin-1-yl]pyrazine-2-carbonitrile
CID 155977261
6-chloro-2-(1-ethylsulfonylpiperidin-4-yl)-1,8-naphthyridine
CID 163344099
4-bromo-1-(1-methylimidazol-4-yl)sulfonylpiperidine
CID 80673248
2-[1-(1-methylimidazol-4-yl)sulfonylpiperidin-4-yl]-6-[(2-methylphenyl)methyl]pyridine
CID 95810677
7-(1-methylimidazol-4-yl)sulfonyl-3-(1-methylpyrazol-4-yl)-8,9-dihydro-6H-pyrido[4,3-b][1,8]naphthyridine
CID 163357484
(2S)-4-(1-methylimidazol-4-yl)sulfonyl-2-pyridin-4-ylmorpholine
CID 124953478
3-cyclopropyl-6-[[1-(1-methylimidazol-4-yl)sulfonylpyrrolidin-3-yl]methoxy]pyridazine
CID 154576236

Frequently Asked Questions

What is the IUPAC name of 2-[1-(1-methylimidazol-4-yl)sulfonylpiperidin-4-yl]-6-pyridin-4-yl-1,8-naphthyridine?
The IUPAC name of 2-[1-(1-methylimidazol-4-yl)sulfonylpiperidin-4-yl]-6-pyridin-4-yl-1,8-naphthyridine (CID 155975409) is 2-[1-(1-methylimidazol-4-yl)sulfonylpiperidin-4-yl]-6-pyridin-4-yl-1,8-naphthyridine.
What is the SMILES notation for 2-[1-(1-methylimidazol-4-yl)sulfonylpiperidin-4-yl]-6-pyridin-4-yl-1,8-naphthyridine?
The canonical SMILES for 2-[1-(1-methylimidazol-4-yl)sulfonylpiperidin-4-yl]-6-pyridin-4-yl-1,8-naphthyridine is Cn1cnc(S(=O)(=O)N2CCC(c3ccc4cc(-c5ccncc5)cnc4n3)CC2)c1.
What is the InChIKey of 2-[1-(1-methylimidazol-4-yl)sulfonylpiperidin-4-yl]-6-pyridin-4-yl-1,8-naphthyridine?
The InChIKey is MKHICOVPPZOYQH-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H22N6O2S/c1-27-14-21(25-15-27)31(29,30)28-10-6-17(7-11-28)20-3-2-18-12-19(13-24-22(18)26-20)16-4-8-23-9-5-16/h2-5,8-9,12-15,17H,6-7,10-11H2,1H3.
What are the key properties of 2-[1-(1-methylimidazol-4-yl)sulfonylpiperidin-4-yl]-6-pyridin-4-yl-1,8-naphthyridine?
2-[1-(1-methylimidazol-4-yl)sulfonylpiperidin-4-yl]-6-pyridin-4-yl-1,8-naphthyridine has a molecular weight of 434.53 g/mol, XLogP of 2.99, 4 rotatable bonds, 0 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[1-(1-methylimidazol-4-yl)sulfonylpiperidin-4-yl]-6-pyridin-4-yl-1,8-naphthyridine is sourced from PubChem (CID 155975409), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).