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

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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).