methyl 1-[3-[3-oxo-2-(pyridin-3-ylmethyl)pyrido[2,3-b]pyrazin-4-yl]phenyl]indole-5-carboxylate

C29H21N5O3 — CID 22723984

IUPACmethyl 1-[3-[3-oxo-2-(pyridin-3-ylmethyl)pyrido[2,3-b]pyrazin-4-yl]phenyl]indole-5-carboxylate
SMILESCOC(=O)c1ccc2c(ccn2-c2cccc(-n3c(=O)c(Cc4cccnc4)nc4cccnc43)c2)c1
InChIInChI=1S/C29H21N5O3/c1-37-29(36)21-9-10-26-20(16-21)11-14-33(26)22-6-2-7-23(17-22)34-27-24(8-4-13-31-27)32-25(28(34)35)15-19-5-3-12-30-18-19/h2-14,16-18H,15H2,1H3
InChIKeyANWBTJULRVGAFF-UHFFFAOYSA-N
MW487.52 g/mol
LogP4.50
Rot. Bonds5

About methyl 1-[3-[3-oxo-2-(pyridin-3-ylmethyl)pyrido[2,3-b]pyrazin-4-yl]phenyl]indole-5-carboxylate

methyl 1-[3-[3-oxo-2-(pyridin-3-ylmethyl)pyrido[2,3-b]pyrazin-4-yl]phenyl]indole-5-carboxylate (PubChem CID 22723984) has the molecular formula C29H21N5O3 and a molecular weight of 487.52 g/mol. Its IUPAC name is methyl 1-[3-[3-oxo-2-(pyridin-3-ylmethyl)pyrido[2,3-b]pyrazin-4-yl]phenyl]indole-5-carboxylate.

Molecular Properties

Compound Namemethyl 1-[3-[3-oxo-2-(pyridin-3-ylmethyl)pyrido[2,3-b]pyrazin-4-yl]phenyl]indole-5-carboxylate
PubChem CID22723984
Molecular FormulaC29H21N5O3
Molecular Weight487.52 g/mol
Exact Mass487.16
IUPAC Namemethyl 1-[3-[3-oxo-2-(pyridin-3-ylmethyl)pyrido[2,3-b]pyrazin-4-yl]phenyl]indole-5-carboxylate
SMILESCOC(=O)c1ccc2c(ccn2-c2cccc(-n3c(=O)c(Cc4cccnc4)nc4cccnc43)c2)c1
InChIInChI=1S/C29H21N5O3/c1-37-29(36)21-9-10-26-20(16-21)11-14-33(26)22-6-2-7-23(17-22)34-27-24(8-4-13-31-27)32-25(28(34)35)15-19-5-3-12-30-18-19/h2-14,16-18H,15H2,1H3
InChIKeyANWBTJULRVGAFF-UHFFFAOYSA-N
XLogP4.50
TPSA91.90 Ų
H-Bond Donors
H-Bond Acceptors8
Rotatable Bonds5
Heavy Atoms37
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500487.52
LogP ≤ 54.50
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 108

Analyze methyl 1-[3-[3-oxo-2-(pyridin-3-ylmethyl)pyrido[2,3-b]pyrazin-4-yl]phenyl]indole-5-carboxylate with MolForge

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Related Compounds

methyl 3-[[9-(4,6-dimethylpyrimidin-2-yl)-1-oxo-2,9-diazaspiro[5.5]undecan-2-yl]methyl]-1H-indole-5-carboxylate
CID 56970421
1-Dimethylcarbamoyl-3-[4-(2-methyl-imidazo[4,5-c]pyridin-1-ylmethyl)-benzoyl]-1H-indole-5-carboxylic acid methyl ester
CID 10625050
4-{4-[2-(3,4-Difluoro-phenyl)-ethyl]-piperazin-1-yl}-5H-pyrimido[5,4-b]indole-8-carboxylic acid methyl ester
CID 11247947
3-[N-(2-carbomethoxybenzyl)-5-indolyl]methyl-5,7-dimethyl-2-ethyl-3H-imidazo[4,5-b]pyridine
CID 11744592
ethyl 4-(3-(2-aminoquinazolin-6-yl)-4-methyl-2-oxopyridin-1(2H)-yl)benzoate
CID 24879244
Methyl 9-(3-imidazol-1-ylpropyl)-5,6,7,8-tetrahydrocarbazole-3-carboxylate
CID 57390253
Methyl 9-(3-purin-7-ylpropyl)-5,6,7,8-tetrahydrocarbazole-3-carboxylate
CID 57397331
Methyl 4-[3-[1-(5,7-difluoroquinolin-6-yl)ethyl]imidazo[4,5-b]pyrazin-5-yl]-2-fluorobenzoate
CID 86566601
Methyl 2-fluoro-4-[3-[1-(7-fluoroquinolin-6-yl)ethyl]imidazo[4,5-b]pyrazin-5-yl]benzoate
CID 141370273
Methyl 2-fluoro-4-[3-[1-(7-methylquinolin-6-yl)ethyl]imidazo[4,5-b]pyrazin-5-yl]benzoate
CID 141370365
Methyl 2-fluoro-4-[3-[1-(5-methylquinolin-6-yl)ethyl]imidazo[4,5-b]pyrazin-5-yl]benzoate
CID 141370377
Methyl 3-(3-(1-(quinolin-2-yl)azetidin-3-yl)pyrazin-2-yl)benzoate
CID 58547203

Frequently Asked Questions

What is the IUPAC name of methyl 1-[3-[3-oxo-2-(pyridin-3-ylmethyl)pyrido[2,3-b]pyrazin-4-yl]phenyl]indole-5-carboxylate?
The IUPAC name of methyl 1-[3-[3-oxo-2-(pyridin-3-ylmethyl)pyrido[2,3-b]pyrazin-4-yl]phenyl]indole-5-carboxylate (CID 22723984) is methyl 1-[3-[3-oxo-2-(pyridin-3-ylmethyl)pyrido[2,3-b]pyrazin-4-yl]phenyl]indole-5-carboxylate.
What is the SMILES notation for methyl 1-[3-[3-oxo-2-(pyridin-3-ylmethyl)pyrido[2,3-b]pyrazin-4-yl]phenyl]indole-5-carboxylate?
The canonical SMILES for methyl 1-[3-[3-oxo-2-(pyridin-3-ylmethyl)pyrido[2,3-b]pyrazin-4-yl]phenyl]indole-5-carboxylate is COC(=O)c1ccc2c(ccn2-c2cccc(-n3c(=O)c(Cc4cccnc4)nc4cccnc43)c2)c1.
What is the InChIKey of methyl 1-[3-[3-oxo-2-(pyridin-3-ylmethyl)pyrido[2,3-b]pyrazin-4-yl]phenyl]indole-5-carboxylate?
The InChIKey is ANWBTJULRVGAFF-UHFFFAOYSA-N. The full InChI is InChI=1S/C29H21N5O3/c1-37-29(36)21-9-10-26-20(16-21)11-14-33(26)22-6-2-7-23(17-22)34-27-24(8-4-13-31-27)32-25(28(34)35)15-19-5-3-12-30-18-19/h2-14,16-18H,15H2,1H3.
What are the key properties of methyl 1-[3-[3-oxo-2-(pyridin-3-ylmethyl)pyrido[2,3-b]pyrazin-4-yl]phenyl]indole-5-carboxylate?
methyl 1-[3-[3-oxo-2-(pyridin-3-ylmethyl)pyrido[2,3-b]pyrazin-4-yl]phenyl]indole-5-carboxylate has a molecular weight of 487.52 g/mol, XLogP of 4.50, 5 rotatable bonds, 0 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for methyl 1-[3-[3-oxo-2-(pyridin-3-ylmethyl)pyrido[2,3-b]pyrazin-4-yl]phenyl]indole-5-carboxylate is sourced from PubChem (CID 22723984), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).