2-[4-(3-methoxybenzoyl)piperazine-1-carbonyl]-4-(2-phenylethyl)pyrido[2,3-b]pyrazin-3-one

C28H27N5O4 — CID 134797015

IUPAC2-[4-(3-methoxybenzoyl)piperazine-1-carbonyl]-4-(2-phenylethyl)pyrido[2,3-b]pyrazin-3-one
SMILESCOc1cccc(C(=O)N2CCN(C(=O)c3nc4cccnc4n(CCc4ccccc4)c3=O)CC2)c1
InChIInChI=1S/C28H27N5O4/c1-37-22-10-5-9-21(19-22)26(34)31-15-17-32(18-16-31)27(35)24-28(36)33(14-12-20-7-3-2-4-8-20)25-23(30-24)11-6-13-29-25/h2-11,13,19H,12,14-18H2,1H3
InChIKeyZAQYOTCQYOWQPE-UHFFFAOYSA-N
MW497.56 g/mol
LogP2.64
Rot. Bonds6

About 2-[4-(3-methoxybenzoyl)piperazine-1-carbonyl]-4-(2-phenylethyl)pyrido[2,3-b]pyrazin-3-one

2-[4-(3-methoxybenzoyl)piperazine-1-carbonyl]-4-(2-phenylethyl)pyrido[2,3-b]pyrazin-3-one (PubChem CID 134797015) has the molecular formula C28H27N5O4 and a molecular weight of 497.56 g/mol. Its IUPAC name is 2-[4-(3-methoxybenzoyl)piperazine-1-carbonyl]-4-(2-phenylethyl)pyrido[2,3-b]pyrazin-3-one.

Molecular Properties

Compound Name2-[4-(3-methoxybenzoyl)piperazine-1-carbonyl]-4-(2-phenylethyl)pyrido[2,3-b]pyrazin-3-one
PubChem CID134797015
Molecular FormulaC28H27N5O4
Molecular Weight497.56 g/mol
Exact Mass497.21
IUPAC Name2-[4-(3-methoxybenzoyl)piperazine-1-carbonyl]-4-(2-phenylethyl)pyrido[2,3-b]pyrazin-3-one
SMILESCOc1cccc(C(=O)N2CCN(C(=O)c3nc4cccnc4n(CCc4ccccc4)c3=O)CC2)c1
InChIInChI=1S/C28H27N5O4/c1-37-22-10-5-9-21(19-22)26(34)31-15-17-32(18-16-31)27(35)24-28(36)33(14-12-20-7-3-2-4-8-20)25-23(30-24)11-6-13-29-25/h2-11,13,19H,12,14-18H2,1H3
InChIKeyZAQYOTCQYOWQPE-UHFFFAOYSA-N
XLogP2.64
TPSA97.63 Ų
H-Bond Donors
H-Bond Acceptors7
Rotatable Bonds6
Heavy Atoms37
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500497.56
LogP ≤ 52.64
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 107

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Related Compounds

2-(4-benzylpiperazine-1-carbonyl)-4-(2-phenylethyl)pyrido[2,3-b]pyrazin-3-one
CID 134802710
2-[4-(6-chloropyridine-3-carbonyl)piperazine-1-carbonyl]-4-(2-phenylethyl)pyrido[2,3-b]pyrazin-3-one
CID 134797301
2-[4-(4-methoxybenzoyl)piperazine-1-carbonyl]-4-(2-methoxyethyl)pyrido[2,3-b]pyrazin-3-one
CID 134797182
2-[4-(cyclopentanecarbonyl)piperazine-1-carbonyl]-4-(2-phenylethyl)pyrido[2,3-b]pyrazin-3-one
CID 134798452
methyl 4-[4-(2-methoxyethyl)-3-oxopyrido[2,3-b]pyrazine-2-carbonyl]piperazine-1-carboxylate
CID 134796878
2-[4-(2-fluorobenzoyl)piperazine-1-carbonyl]-4-[(4-methoxyphenyl)methyl]pyrido[2,3-b]pyrazin-3-one
CID 134797009
4-[(4-methoxyphenyl)methyl]-2-(morpholine-4-carbonyl)pyrido[2,3-b]pyrazin-3-one
CID 134797092
2-(4-benzoylpiperazine-1-carbonyl)-4-(2-methoxyphenyl)pyrido[2,3-b]pyrazin-3-one
CID 134796790
4-benzyl-N-[(3-methoxyphenyl)methyl]-3-oxopyrido[2,3-b]pyrazine-2-carboxamide
CID 134798321
4-(2-methoxyethyl)-2-[4-[4-(trifluoromethyl)benzoyl]piperazine-1-carbonyl]pyrido[2,3-b]pyrazin-3-one
CID 134795834
4-(3-methoxypropyl)-2-(4-phenylpiperidine-1-carbonyl)pyrido[2,3-b]pyrazin-3-one
CID 134799498
[4-[2-(3-methoxyphenyl)ethyl]piperazin-1-yl]-phenylmethanone
CID 110602055

Frequently Asked Questions

What is the IUPAC name of 2-[4-(3-methoxybenzoyl)piperazine-1-carbonyl]-4-(2-phenylethyl)pyrido[2,3-b]pyrazin-3-one?
The IUPAC name of 2-[4-(3-methoxybenzoyl)piperazine-1-carbonyl]-4-(2-phenylethyl)pyrido[2,3-b]pyrazin-3-one (CID 134797015) is 2-[4-(3-methoxybenzoyl)piperazine-1-carbonyl]-4-(2-phenylethyl)pyrido[2,3-b]pyrazin-3-one.
What is the SMILES notation for 2-[4-(3-methoxybenzoyl)piperazine-1-carbonyl]-4-(2-phenylethyl)pyrido[2,3-b]pyrazin-3-one?
The canonical SMILES for 2-[4-(3-methoxybenzoyl)piperazine-1-carbonyl]-4-(2-phenylethyl)pyrido[2,3-b]pyrazin-3-one is COc1cccc(C(=O)N2CCN(C(=O)c3nc4cccnc4n(CCc4ccccc4)c3=O)CC2)c1.
What is the InChIKey of 2-[4-(3-methoxybenzoyl)piperazine-1-carbonyl]-4-(2-phenylethyl)pyrido[2,3-b]pyrazin-3-one?
The InChIKey is ZAQYOTCQYOWQPE-UHFFFAOYSA-N. The full InChI is InChI=1S/C28H27N5O4/c1-37-22-10-5-9-21(19-22)26(34)31-15-17-32(18-16-31)27(35)24-28(36)33(14-12-20-7-3-2-4-8-20)25-23(30-24)11-6-13-29-25/h2-11,13,19H,12,14-18H2,1H3.
What are the key properties of 2-[4-(3-methoxybenzoyl)piperazine-1-carbonyl]-4-(2-phenylethyl)pyrido[2,3-b]pyrazin-3-one?
2-[4-(3-methoxybenzoyl)piperazine-1-carbonyl]-4-(2-phenylethyl)pyrido[2,3-b]pyrazin-3-one has a molecular weight of 497.56 g/mol, XLogP of 2.64, 6 rotatable bonds, 0 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[4-(3-methoxybenzoyl)piperazine-1-carbonyl]-4-(2-phenylethyl)pyrido[2,3-b]pyrazin-3-one is sourced from PubChem (CID 134797015), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).