2-[3-[4-(5-chloro-2-methylphenyl)piperazine-1-carbonyl]piperidin-1-yl]-4-methylpyrido[2,3-b]pyrazin-3-one

C25H29ClN6O2 — CID 50781430

IUPAC2-[3-[4-(5-chloro-2-methylphenyl)piperazine-1-carbonyl]piperidin-1-yl]-4-methylpyrido[2,3-b]pyrazin-3-one
SMILESCc1ccc(Cl)cc1N1CCN(C(=O)C2CCCN(c3nc4cccnc4n(C)c3=O)C2)CC1
InChIInChI=1S/C25H29ClN6O2/c1-17-7-8-19(26)15-21(17)30-11-13-31(14-12-30)24(33)18-5-4-10-32(16-18)23-25(34)29(2)22-20(28-23)6-3-9-27-22/h3,6-9,15,18H,4-5,10-14,16H2,1-2H3
InChIKeyIHFNIWSEZNBYLO-UHFFFAOYSA-N
MW481.00 g/mol
LogP2.86
Rot. Bonds3

About 2-[3-[4-(5-chloro-2-methylphenyl)piperazine-1-carbonyl]piperidin-1-yl]-4-methylpyrido[2,3-b]pyrazin-3-one

2-[3-[4-(5-chloro-2-methylphenyl)piperazine-1-carbonyl]piperidin-1-yl]-4-methylpyrido[2,3-b]pyrazin-3-one (PubChem CID 50781430) has the molecular formula C25H29ClN6O2 and a molecular weight of 481.00 g/mol. Its IUPAC name is 2-[3-[4-(5-chloro-2-methylphenyl)piperazine-1-carbonyl]piperidin-1-yl]-4-methylpyrido[2,3-b]pyrazin-3-one.

Molecular Properties

Compound Name2-[3-[4-(5-chloro-2-methylphenyl)piperazine-1-carbonyl]piperidin-1-yl]-4-methylpyrido[2,3-b]pyrazin-3-one
PubChem CID50781430
Molecular FormulaC25H29ClN6O2
Molecular Weight481.00 g/mol
Exact Mass480.20
IUPAC Name2-[3-[4-(5-chloro-2-methylphenyl)piperazine-1-carbonyl]piperidin-1-yl]-4-methylpyrido[2,3-b]pyrazin-3-one
SMILESCc1ccc(Cl)cc1N1CCN(C(=O)C2CCCN(c3nc4cccnc4n(C)c3=O)C2)CC1
InChIInChI=1S/C25H29ClN6O2/c1-17-7-8-19(26)15-21(17)30-11-13-31(14-12-30)24(33)18-5-4-10-32(16-18)23-25(34)29(2)22-20(28-23)6-3-9-27-22/h3,6-9,15,18H,4-5,10-14,16H2,1-2H3
InChIKeyIHFNIWSEZNBYLO-UHFFFAOYSA-N
XLogP2.86
TPSA74.57 Ų
H-Bond Donors
H-Bond Acceptors7
Rotatable Bonds3
Heavy Atoms34
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500481.00
LogP ≤ 52.86
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 107

Analyze 2-[3-[4-(5-chloro-2-methylphenyl)piperazine-1-carbonyl]piperidin-1-yl]-4-methylpyrido[2,3-b]pyrazin-3-one with MolForge

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Related Compounds

3-[3-[4-(3-chlorophenyl)piperazine-1-carbonyl]piperidin-1-yl]-1-methylquinoxalin-2-one
CID 53070305
2-[3-[4-(1,3-benzodioxol-5-ylmethyl)piperazine-1-carbonyl]piperidin-1-yl]-4-methylpyrido[2,3-b]pyrazin-3-one
CID 50781610
[4-(5-chloro-2-methylphenyl)piperazin-1-yl]-[(3R)-1-(6-ethylthieno[2,3-d]pyrimidin-4-yl)piperidin-3-yl]methanone
CID 92877179
[1-(3-methylimidazo[4,5-b]pyridin-2-yl)piperidin-3-yl]-morpholin-4-ylmethanone
CID 155976019
4-[(4-methylphenyl)methyl]-2-[3-(4-methylpiperidine-1-carbonyl)piperidin-1-yl]pyrido[2,3-b]pyrazin-3-one
CID 50781639
[1-(2,1,3-benzoxadiazol-4-ylsulfonyl)piperidin-3-yl]-[4-(5-chloro-2-methylphenyl)piperazin-1-yl]methanone
CID 22430710
1-[1-(4-methyl-3-oxopyrido[2,3-b]pyrazin-2-yl)piperidine-4-carbonyl]piperidine-4-carboxamide
CID 46324847
4-methyl-2-[4-(morpholine-4-carbonyl)piperidin-1-yl]pyrido[2,3-b]pyrazin-3-one
CID 50781233
[4-(5-chloro-2-methylphenyl)piperazin-1-yl]-(1-methylpiperidin-4-yl)methanone
CID 99817362
(3R)-N-[(3-bromophenyl)methyl]-1-(4-methyl-3-oxopyrido[2,3-b]pyrazin-2-yl)piperidine-3-carboxamide
CID 92889225
[(3S)-1-(benzenesulfonyl)piperidin-3-yl]-[4-(5-chloro-2-methylphenyl)piperazin-1-yl]methanone
CID 27151971
4-benzyl-2-[4-(cyclopentanecarbonyl)piperazin-1-yl]pyrido[2,3-b]pyrazin-3-one
CID 53021545

Frequently Asked Questions

What is the IUPAC name of 2-[3-[4-(5-chloro-2-methylphenyl)piperazine-1-carbonyl]piperidin-1-yl]-4-methylpyrido[2,3-b]pyrazin-3-one?
The IUPAC name of 2-[3-[4-(5-chloro-2-methylphenyl)piperazine-1-carbonyl]piperidin-1-yl]-4-methylpyrido[2,3-b]pyrazin-3-one (CID 50781430) is 2-[3-[4-(5-chloro-2-methylphenyl)piperazine-1-carbonyl]piperidin-1-yl]-4-methylpyrido[2,3-b]pyrazin-3-one.
What is the SMILES notation for 2-[3-[4-(5-chloro-2-methylphenyl)piperazine-1-carbonyl]piperidin-1-yl]-4-methylpyrido[2,3-b]pyrazin-3-one?
The canonical SMILES for 2-[3-[4-(5-chloro-2-methylphenyl)piperazine-1-carbonyl]piperidin-1-yl]-4-methylpyrido[2,3-b]pyrazin-3-one is Cc1ccc(Cl)cc1N1CCN(C(=O)C2CCCN(c3nc4cccnc4n(C)c3=O)C2)CC1.
What is the InChIKey of 2-[3-[4-(5-chloro-2-methylphenyl)piperazine-1-carbonyl]piperidin-1-yl]-4-methylpyrido[2,3-b]pyrazin-3-one?
The InChIKey is IHFNIWSEZNBYLO-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H29ClN6O2/c1-17-7-8-19(26)15-21(17)30-11-13-31(14-12-30)24(33)18-5-4-10-32(16-18)23-25(34)29(2)22-20(28-23)6-3-9-27-22/h3,6-9,15,18H,4-5,10-14,16H2,1-2H3.
What are the key properties of 2-[3-[4-(5-chloro-2-methylphenyl)piperazine-1-carbonyl]piperidin-1-yl]-4-methylpyrido[2,3-b]pyrazin-3-one?
2-[3-[4-(5-chloro-2-methylphenyl)piperazine-1-carbonyl]piperidin-1-yl]-4-methylpyrido[2,3-b]pyrazin-3-one has a molecular weight of 481.00 g/mol, XLogP of 2.86, 3 rotatable bonds, 0 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[3-[4-(5-chloro-2-methylphenyl)piperazine-1-carbonyl]piperidin-1-yl]-4-methylpyrido[2,3-b]pyrazin-3-one is sourced from PubChem (CID 50781430), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).