methyl 2-[[4-(4-ethyl-3-oxopyrido[2,3-b]pyrazin-2-yl)piperazine-1-carbonyl]amino]-4-methylbenzoate

C23H26N6O4 — CID 53019970

IUPACmethyl 2-[[4-(4-ethyl-3-oxopyrido[2,3-b]pyrazin-2-yl)piperazine-1-carbonyl]amino]-4-methylbenzoate
SMILESCCn1c(=O)c(N2CCN(C(=O)Nc3cc(C)ccc3C(=O)OC)CC2)nc2cccnc21
InChIInChI=1S/C23H26N6O4/c1-4-29-19-17(6-5-9-24-19)25-20(21(29)30)27-10-12-28(13-11-27)23(32)26-18-14-15(2)7-8-16(18)22(31)33-3/h5-9,14H,4,10-13H2,1-3H3,(H,26,32)
InChIKeyZTHAFAJQZPKYIU-UHFFFAOYSA-N
MW450.50 g/mol
LogP2.26
Rot. Bonds4

About methyl 2-[[4-(4-ethyl-3-oxopyrido[2,3-b]pyrazin-2-yl)piperazine-1-carbonyl]amino]-4-methylbenzoate

methyl 2-[[4-(4-ethyl-3-oxopyrido[2,3-b]pyrazin-2-yl)piperazine-1-carbonyl]amino]-4-methylbenzoate (PubChem CID 53019970) has the molecular formula C23H26N6O4 and a molecular weight of 450.50 g/mol. Its IUPAC name is methyl 2-[[4-(4-ethyl-3-oxopyrido[2,3-b]pyrazin-2-yl)piperazine-1-carbonyl]amino]-4-methylbenzoate.

Molecular Properties

Compound Namemethyl 2-[[4-(4-ethyl-3-oxopyrido[2,3-b]pyrazin-2-yl)piperazine-1-carbonyl]amino]-4-methylbenzoate
PubChem CID53019970
Molecular FormulaC23H26N6O4
Molecular Weight450.50 g/mol
Exact Mass450.20
IUPAC Namemethyl 2-[[4-(4-ethyl-3-oxopyrido[2,3-b]pyrazin-2-yl)piperazine-1-carbonyl]amino]-4-methylbenzoate
SMILESCCn1c(=O)c(N2CCN(C(=O)Nc3cc(C)ccc3C(=O)OC)CC2)nc2cccnc21
InChIInChI=1S/C23H26N6O4/c1-4-29-19-17(6-5-9-24-19)25-20(21(29)30)27-10-12-28(13-11-27)23(32)26-18-14-15(2)7-8-16(18)22(31)33-3/h5-9,14H,4,10-13H2,1-3H3,(H,26,32)
InChIKeyZTHAFAJQZPKYIU-UHFFFAOYSA-N
XLogP2.26
TPSA109.66 Ų
H-Bond Donors1
H-Bond Acceptors8
Rotatable Bonds4
Heavy Atoms33
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500450.50
LogP ≤ 52.26
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 108

Analyze methyl 2-[[4-(4-ethyl-3-oxopyrido[2,3-b]pyrazin-2-yl)piperazine-1-carbonyl]amino]-4-methylbenzoate with MolForge

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Related Compounds

N-(2,5-dimethoxyphenyl)-4-(4-ethyl-3-oxopyrido[2,3-b]pyrazin-2-yl)piperazine-1-carboxamide
CID 83273552
methyl 2-[[4-(4-ethyl-3-oxoquinoxalin-2-yl)piperazine-1-carbonyl]amino]benzoate
CID 53070062
N-(2-chlorophenyl)-4-(4-ethyl-3-oxopyrido[2,3-b]pyrazin-2-yl)piperazine-1-carboxamide
CID 53019941
4-(4-ethyl-3-oxopyrido[2,3-b]pyrazin-2-yl)-N-(3-fluoro-4-methylphenyl)piperazine-1-carboxamide
CID 83277226
N-(3-chlorophenyl)-4-(4-ethyl-3-oxopyrido[2,3-b]pyrazin-2-yl)piperazine-1-carboxamide
CID 83273543
4-ethyl-2-(4-propanoylpiperazin-1-yl)pyrido[2,3-b]pyrazin-3-one
CID 87050114
ethyl (3R)-3-[[4-(4-ethyl-3-oxopyrido[2,3-b]pyrazin-2-yl)piperazine-1-carbonyl]amino]-3-phenylpropanoate
CID 95053127
4-(4-ethyl-3-oxoquinoxalin-2-yl)-N-(2-fluorophenyl)piperazine-1-carboxamide
CID 53070095
N-(2-methoxy-5-methylphenyl)-4-[[3-(4-methylphenyl)imidazo[4,5-b]pyridin-2-yl]methyl]piperazine-1-carboxamide
CID 53022682
ethyl 4-[[4-(4-methyl-3-oxopyrido[2,3-b]pyrazin-2-yl)piperazine-1-carbonyl]amino]benzoate
CID 86809385
N-(4-ethylphenyl)-4-(4-methyl-3-oxopyrido[2,3-b]pyrazin-2-yl)piperazine-1-carboxamide
CID 83274086
N-(3,5-dimethoxyphenyl)-4-(4-methyl-3-oxopyrido[2,3-b]pyrazin-2-yl)piperazine-1-carboxamide
CID 83274079

Frequently Asked Questions

What is the IUPAC name of methyl 2-[[4-(4-ethyl-3-oxopyrido[2,3-b]pyrazin-2-yl)piperazine-1-carbonyl]amino]-4-methylbenzoate?
The IUPAC name of methyl 2-[[4-(4-ethyl-3-oxopyrido[2,3-b]pyrazin-2-yl)piperazine-1-carbonyl]amino]-4-methylbenzoate (CID 53019970) is methyl 2-[[4-(4-ethyl-3-oxopyrido[2,3-b]pyrazin-2-yl)piperazine-1-carbonyl]amino]-4-methylbenzoate.
What is the SMILES notation for methyl 2-[[4-(4-ethyl-3-oxopyrido[2,3-b]pyrazin-2-yl)piperazine-1-carbonyl]amino]-4-methylbenzoate?
The canonical SMILES for methyl 2-[[4-(4-ethyl-3-oxopyrido[2,3-b]pyrazin-2-yl)piperazine-1-carbonyl]amino]-4-methylbenzoate is CCn1c(=O)c(N2CCN(C(=O)Nc3cc(C)ccc3C(=O)OC)CC2)nc2cccnc21.
What is the InChIKey of methyl 2-[[4-(4-ethyl-3-oxopyrido[2,3-b]pyrazin-2-yl)piperazine-1-carbonyl]amino]-4-methylbenzoate?
The InChIKey is ZTHAFAJQZPKYIU-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H26N6O4/c1-4-29-19-17(6-5-9-24-19)25-20(21(29)30)27-10-12-28(13-11-27)23(32)26-18-14-15(2)7-8-16(18)22(31)33-3/h5-9,14H,4,10-13H2,1-3H3,(H,26,32).
What are the key properties of methyl 2-[[4-(4-ethyl-3-oxopyrido[2,3-b]pyrazin-2-yl)piperazine-1-carbonyl]amino]-4-methylbenzoate?
methyl 2-[[4-(4-ethyl-3-oxopyrido[2,3-b]pyrazin-2-yl)piperazine-1-carbonyl]amino]-4-methylbenzoate has a molecular weight of 450.50 g/mol, XLogP of 2.26, 4 rotatable bonds, 1 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for methyl 2-[[4-(4-ethyl-3-oxopyrido[2,3-b]pyrazin-2-yl)piperazine-1-carbonyl]amino]-4-methylbenzoate is sourced from PubChem (CID 53019970), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).