(6S)-2-methyl-6-(4-pyridin-2-ylpiperazine-1-carbonyl)-5,6,7,8-tetrahydrocinnolin-3-one

C19H23N5O2 — CID 100740472

IUPAC(6S)-2-methyl-6-(4-pyridin-2-ylpiperazine-1-carbonyl)-5,6,7,8-tetrahydrocinnolin-3-one
SMILESCn1nc2c(cc1=O)C[C@@H](C(=O)N1CCN(c3ccccn3)CC1)CC2
InChIInChI=1S/C19H23N5O2/c1-22-18(25)13-15-12-14(5-6-16(15)21-22)19(26)24-10-8-23(9-11-24)17-4-2-3-7-20-17/h2-4,7,13-14H,5-6,8-12H2,1H3/t14-/m0/s1
InChIKeySVJRUWXURYPVME-AWEZNQCLSA-N
MW353.43 g/mol
LogP0.63
Rot. Bonds2

About (6S)-2-methyl-6-(4-pyridin-2-ylpiperazine-1-carbonyl)-5,6,7,8-tetrahydrocinnolin-3-one

(6S)-2-methyl-6-(4-pyridin-2-ylpiperazine-1-carbonyl)-5,6,7,8-tetrahydrocinnolin-3-one (PubChem CID 100740472) has the molecular formula C19H23N5O2 and a molecular weight of 353.43 g/mol. Its IUPAC name is (6S)-2-methyl-6-(4-pyridin-2-ylpiperazine-1-carbonyl)-5,6,7,8-tetrahydrocinnolin-3-one.

Molecular Properties

Compound Name(6S)-2-methyl-6-(4-pyridin-2-ylpiperazine-1-carbonyl)-5,6,7,8-tetrahydrocinnolin-3-one
PubChem CID100740472
Molecular FormulaC19H23N5O2
Molecular Weight353.43 g/mol
Exact Mass353.19
IUPAC Name(6S)-2-methyl-6-(4-pyridin-2-ylpiperazine-1-carbonyl)-5,6,7,8-tetrahydrocinnolin-3-one
SMILESCn1nc2c(cc1=O)C[C@@H](C(=O)N1CCN(c3ccccn3)CC1)CC2
InChIInChI=1S/C19H23N5O2/c1-22-18(25)13-15-12-14(5-6-16(15)21-22)19(26)24-10-8-23(9-11-24)17-4-2-3-7-20-17/h2-4,7,13-14H,5-6,8-12H2,1H3/t14-/m0/s1
InChIKeySVJRUWXURYPVME-AWEZNQCLSA-N
XLogP0.63
TPSA71.33 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds2
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500353.43
LogP ≤ 50.63
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

Analyze (6S)-2-methyl-6-(4-pyridin-2-ylpiperazine-1-carbonyl)-5,6,7,8-tetrahydrocinnolin-3-one with MolForge

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Related Compounds

(6S)-6-[4-(2-fluorophenyl)piperazine-1-carbonyl]-2-methyl-5,6,7,8-tetrahydrocinnolin-3-one
CID 129416249
(6S)-6-[4-(3-chlorophenyl)piperazine-1-carbonyl]-2-methyl-5,6,7,8-tetrahydrocinnolin-3-one
CID 100740411
3-(4-pyridin-2-ylpiperazine-1-carbonyl)-3,4-dihydro-2H-naphthalen-1-one
CID 110677769
[(5R)-2-(morpholine-4-carbonyl)-4,5,6,7-tetrahydro-1-benzothiophen-5-yl]-(4-pyridin-2-ylpiperazin-1-yl)methanone
CID 95108747
(4-propan-2-ylcyclohexyl)-(4-pyridin-2-ylpiperazin-1-yl)methanone
CID 167400923
[(2S,4S)-2-methylpiperidin-4-yl]-(4-pyridin-2-ylpiperazin-1-yl)methanone
CID 120631278
(1-methylpiperidin-2-yl)-(4-pyridin-2-ylpiperazin-1-yl)methanone
CID 110854882
(6R)-N-benzyl-2-methyl-3-oxo-5,6,7,8-tetrahydrocinnoline-6-carboxamide
CID 129416494
oxolan-3-yl-(4-pyridin-2-ylpiperazin-1-yl)methanone
CID 110854828
1-(2-phenylethyl)-4-(4-pyridin-2-ylpiperazine-1-carbonyl)pyrrolidin-2-one
CID 51143749
(1,1-dioxothiolan-3-yl)-(4-pyridin-2-ylpiperazin-1-yl)methanone
CID 56809257
5-propyl-9-(4-pyridin-2-ylpiperazine-1-carbonyl)-1,5-diazacycloundecan-2-one
CID 110199454

Frequently Asked Questions

What is the IUPAC name of (6S)-2-methyl-6-(4-pyridin-2-ylpiperazine-1-carbonyl)-5,6,7,8-tetrahydrocinnolin-3-one?
The IUPAC name of (6S)-2-methyl-6-(4-pyridin-2-ylpiperazine-1-carbonyl)-5,6,7,8-tetrahydrocinnolin-3-one (CID 100740472) is (6S)-2-methyl-6-(4-pyridin-2-ylpiperazine-1-carbonyl)-5,6,7,8-tetrahydrocinnolin-3-one.
What is the SMILES notation for (6S)-2-methyl-6-(4-pyridin-2-ylpiperazine-1-carbonyl)-5,6,7,8-tetrahydrocinnolin-3-one?
The canonical SMILES for (6S)-2-methyl-6-(4-pyridin-2-ylpiperazine-1-carbonyl)-5,6,7,8-tetrahydrocinnolin-3-one is Cn1nc2c(cc1=O)C[C@@H](C(=O)N1CCN(c3ccccn3)CC1)CC2.
What is the InChIKey of (6S)-2-methyl-6-(4-pyridin-2-ylpiperazine-1-carbonyl)-5,6,7,8-tetrahydrocinnolin-3-one?
The InChIKey is SVJRUWXURYPVME-AWEZNQCLSA-N. The full InChI is InChI=1S/C19H23N5O2/c1-22-18(25)13-15-12-14(5-6-16(15)21-22)19(26)24-10-8-23(9-11-24)17-4-2-3-7-20-17/h2-4,7,13-14H,5-6,8-12H2,1H3/t14-/m0/s1.
What are the key properties of (6S)-2-methyl-6-(4-pyridin-2-ylpiperazine-1-carbonyl)-5,6,7,8-tetrahydrocinnolin-3-one?
(6S)-2-methyl-6-(4-pyridin-2-ylpiperazine-1-carbonyl)-5,6,7,8-tetrahydrocinnolin-3-one has a molecular weight of 353.43 g/mol, XLogP of 0.63, 2 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for (6S)-2-methyl-6-(4-pyridin-2-ylpiperazine-1-carbonyl)-5,6,7,8-tetrahydrocinnolin-3-one is sourced from PubChem (CID 100740472), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).