(3S)-N-(2-chlorophenyl)-1-[4-[(4-methylphenyl)methyl]-3-oxopyrido[2,3-b]pyrazin-2-yl]piperidine-3-carboxamide

C27H26ClN5O2 — CID 92889244

IUPAC(3S)-N-(2-chlorophenyl)-1-[4-[(4-methylphenyl)methyl]-3-oxopyrido[2,3-b]pyrazin-2-yl]piperidine-3-carboxamide
SMILESCc1ccc(Cn2c(=O)c(N3CCC[C@H](C(=O)Nc4ccccc4Cl)C3)nc3cccnc32)cc1
InChIInChI=1S/C27H26ClN5O2/c1-18-10-12-19(13-11-18)16-33-24-23(9-4-14-29-24)30-25(27(33)35)32-15-5-6-20(17-32)26(34)31-22-8-3-2-7-21(22)28/h2-4,7-14,20H,5-6,15-17H2,1H3,(H,31,34)/t20-/m0/s1
InChIKeyKZIPEDKWZFAJPX-FQEVSTJZSA-N
MW487.99 g/mol
LogP4.66
Rot. Bonds5

About (3S)-N-(2-chlorophenyl)-1-[4-[(4-methylphenyl)methyl]-3-oxopyrido[2,3-b]pyrazin-2-yl]piperidine-3-carboxamide

(3S)-N-(2-chlorophenyl)-1-[4-[(4-methylphenyl)methyl]-3-oxopyrido[2,3-b]pyrazin-2-yl]piperidine-3-carboxamide (PubChem CID 92889244) has the molecular formula C27H26ClN5O2 and a molecular weight of 487.99 g/mol. Its IUPAC name is (3S)-N-(2-chlorophenyl)-1-[4-[(4-methylphenyl)methyl]-3-oxopyrido[2,3-b]pyrazin-2-yl]piperidine-3-carboxamide.

Molecular Properties

Compound Name(3S)-N-(2-chlorophenyl)-1-[4-[(4-methylphenyl)methyl]-3-oxopyrido[2,3-b]pyrazin-2-yl]piperidine-3-carboxamide
PubChem CID92889244
Molecular FormulaC27H26ClN5O2
Molecular Weight487.99 g/mol
Exact Mass487.18
IUPAC Name(3S)-N-(2-chlorophenyl)-1-[4-[(4-methylphenyl)methyl]-3-oxopyrido[2,3-b]pyrazin-2-yl]piperidine-3-carboxamide
SMILESCc1ccc(Cn2c(=O)c(N3CCC[C@H](C(=O)Nc4ccccc4Cl)C3)nc3cccnc32)cc1
InChIInChI=1S/C27H26ClN5O2/c1-18-10-12-19(13-11-18)16-33-24-23(9-4-14-29-24)30-25(27(33)35)32-15-5-6-20(17-32)26(34)31-22-8-3-2-7-21(22)28/h2-4,7-14,20H,5-6,15-17H2,1H3,(H,31,34)/t20-/m0/s1
InChIKeyKZIPEDKWZFAJPX-FQEVSTJZSA-N
XLogP4.66
TPSA80.12 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms35
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500487.99
LogP ≤ 54.66
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Related Compounds

(3S)-N-(2-methylphenyl)-1-[4-[(4-methylphenyl)methyl]-3-oxopyrido[2,3-b]pyrazin-2-yl]piperidine-3-carboxamide
CID 92889280
(3R)-N-(2-methylphenyl)-1-[4-[(4-methylphenyl)methyl]-3-oxopyrido[2,3-b]pyrazin-2-yl]piperidine-3-carboxamide
CID 92889279
N-(3,5-dimethylphenyl)-1-[4-[(4-methylphenyl)methyl]-3-oxopyrido[2,3-b]pyrazin-2-yl]piperidine-3-carboxamide
CID 50781351
N-[(2-chlorophenyl)methyl]-1-[4-[(4-methylphenyl)methyl]-3-oxopyrido[2,3-b]pyrazin-2-yl]piperidine-3-carboxamide
CID 46259573
1-[4-[(4-methylphenyl)methyl]-3-oxopyrido[2,3-b]pyrazin-2-yl]-N-(2,4,6-trimethylphenyl)piperidine-3-carboxamide
CID 46324928
N-(3-methylphenyl)-1-[4-[(4-methylphenyl)methyl]-3-oxopyrido[2,3-b]pyrazin-2-yl]piperidine-3-carboxamide
CID 50781641
(3S)-N-cyclooctyl-1-[4-[(4-methylphenyl)methyl]-3-oxopyrido[2,3-b]pyrazin-2-yl]piperidine-3-carboxamide
CID 92869797
(3R)-1-[4-[(4-methylphenyl)methyl]-3-oxopyrido[2,3-b]pyrazin-2-yl]-N-(3-methylsulfanylphenyl)piperidine-3-carboxamide
CID 92869806
N-(3-methoxyphenyl)-1-[4-[(4-methylphenyl)methyl]-3-oxopyrido[2,3-b]pyrazin-2-yl]piperidine-3-carboxamide
CID 50781349
N-(2-ethylphenyl)-1-[4-[(4-methylphenyl)methyl]-3-oxopyrido[2,3-b]pyrazin-2-yl]piperidine-4-carboxamide
CID 50781388
(3S)-N-[(2-methoxyphenyl)methyl]-1-[4-[(4-methylphenyl)methyl]-3-oxopyrido[2,3-b]pyrazin-2-yl]piperidine-3-carboxamide
CID 92889292
4-[(4-methylphenyl)methyl]-2-[3-(4-methylpiperidine-1-carbonyl)piperidin-1-yl]pyrido[2,3-b]pyrazin-3-one
CID 50781639

Frequently Asked Questions

What is the IUPAC name of (3S)-N-(2-chlorophenyl)-1-[4-[(4-methylphenyl)methyl]-3-oxopyrido[2,3-b]pyrazin-2-yl]piperidine-3-carboxamide?
The IUPAC name of (3S)-N-(2-chlorophenyl)-1-[4-[(4-methylphenyl)methyl]-3-oxopyrido[2,3-b]pyrazin-2-yl]piperidine-3-carboxamide (CID 92889244) is (3S)-N-(2-chlorophenyl)-1-[4-[(4-methylphenyl)methyl]-3-oxopyrido[2,3-b]pyrazin-2-yl]piperidine-3-carboxamide.
What is the SMILES notation for (3S)-N-(2-chlorophenyl)-1-[4-[(4-methylphenyl)methyl]-3-oxopyrido[2,3-b]pyrazin-2-yl]piperidine-3-carboxamide?
The canonical SMILES for (3S)-N-(2-chlorophenyl)-1-[4-[(4-methylphenyl)methyl]-3-oxopyrido[2,3-b]pyrazin-2-yl]piperidine-3-carboxamide is Cc1ccc(Cn2c(=O)c(N3CCC[C@H](C(=O)Nc4ccccc4Cl)C3)nc3cccnc32)cc1.
What is the InChIKey of (3S)-N-(2-chlorophenyl)-1-[4-[(4-methylphenyl)methyl]-3-oxopyrido[2,3-b]pyrazin-2-yl]piperidine-3-carboxamide?
The InChIKey is KZIPEDKWZFAJPX-FQEVSTJZSA-N. The full InChI is InChI=1S/C27H26ClN5O2/c1-18-10-12-19(13-11-18)16-33-24-23(9-4-14-29-24)30-25(27(33)35)32-15-5-6-20(17-32)26(34)31-22-8-3-2-7-21(22)28/h2-4,7-14,20H,5-6,15-17H2,1H3,(H,31,34)/t20-/m0/s1.
What are the key properties of (3S)-N-(2-chlorophenyl)-1-[4-[(4-methylphenyl)methyl]-3-oxopyrido[2,3-b]pyrazin-2-yl]piperidine-3-carboxamide?
(3S)-N-(2-chlorophenyl)-1-[4-[(4-methylphenyl)methyl]-3-oxopyrido[2,3-b]pyrazin-2-yl]piperidine-3-carboxamide has a molecular weight of 487.99 g/mol, XLogP of 4.66, 5 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for (3S)-N-(2-chlorophenyl)-1-[4-[(4-methylphenyl)methyl]-3-oxopyrido[2,3-b]pyrazin-2-yl]piperidine-3-carboxamide is sourced from PubChem (CID 92889244), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).