3-[2-(7-chloro-2-oxo-1,3-dihydroindol-5-yl)-8-oxo-5H-pyrido[2,3-b]pyrazin-3-yl]-2-methylbenzonitrile

C23H14ClN5O2 — CID 154656504

IUPAC3-[2-(7-chloro-2-oxo-1,3-dihydroindol-5-yl)-8-oxo-5H-pyrido[2,3-b]pyrazin-3-yl]-2-methylbenzonitrile
SMILESCc1c(C#N)cccc1-c1nc2[nH]ccc(=O)c2nc1-c1cc(Cl)c2c(c1)CC(=O)N2
InChIInChI=1S/C23H14ClN5O2/c1-11-12(10-25)3-2-4-15(11)21-20(28-22-17(30)5-6-26-23(22)29-21)13-7-14-9-18(31)27-19(14)16(24)8-13/h2-8H,9H2,1H3,(H,27,31)(H,26,29,30)
InChIKeyYSPATNLRMSLYJR-UHFFFAOYSA-N
MW427.85 g/mol
LogP3.98
Rot. Bonds2

About 3-[2-(7-chloro-2-oxo-1,3-dihydroindol-5-yl)-8-oxo-5H-pyrido[2,3-b]pyrazin-3-yl]-2-methylbenzonitrile

3-[2-(7-chloro-2-oxo-1,3-dihydroindol-5-yl)-8-oxo-5H-pyrido[2,3-b]pyrazin-3-yl]-2-methylbenzonitrile (PubChem CID 154656504) has the molecular formula C23H14ClN5O2 and a molecular weight of 427.85 g/mol. Its IUPAC name is 3-[2-(7-chloro-2-oxo-1,3-dihydroindol-5-yl)-8-oxo-5H-pyrido[2,3-b]pyrazin-3-yl]-2-methylbenzonitrile.

Molecular Properties

Compound Name3-[2-(7-chloro-2-oxo-1,3-dihydroindol-5-yl)-8-oxo-5H-pyrido[2,3-b]pyrazin-3-yl]-2-methylbenzonitrile
PubChem CID154656504
Molecular FormulaC23H14ClN5O2
Molecular Weight427.85 g/mol
Exact Mass427.08
IUPAC Name3-[2-(7-chloro-2-oxo-1,3-dihydroindol-5-yl)-8-oxo-5H-pyrido[2,3-b]pyrazin-3-yl]-2-methylbenzonitrile
SMILESCc1c(C#N)cccc1-c1nc2[nH]ccc(=O)c2nc1-c1cc(Cl)c2c(c1)CC(=O)N2
InChIInChI=1S/C23H14ClN5O2/c1-11-12(10-25)3-2-4-15(11)21-20(28-22-17(30)5-6-26-23(22)29-21)13-7-14-9-18(31)27-19(14)16(24)8-13/h2-8H,9H2,1H3,(H,27,31)(H,26,29,30)
InChIKeyYSPATNLRMSLYJR-UHFFFAOYSA-N
XLogP3.98
TPSA111.53 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds2
Heavy Atoms31
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500427.85
LogP ≤ 53.98
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 3-[2-(7-chloro-2-oxo-1,3-dihydroindol-5-yl)-8-oxo-5H-pyrido[2,3-b]pyrazin-3-yl]-2-methylbenzonitrile?
The IUPAC name of 3-[2-(7-chloro-2-oxo-1,3-dihydroindol-5-yl)-8-oxo-5H-pyrido[2,3-b]pyrazin-3-yl]-2-methylbenzonitrile (CID 154656504) is 3-[2-(7-chloro-2-oxo-1,3-dihydroindol-5-yl)-8-oxo-5H-pyrido[2,3-b]pyrazin-3-yl]-2-methylbenzonitrile.
What is the SMILES notation for 3-[2-(7-chloro-2-oxo-1,3-dihydroindol-5-yl)-8-oxo-5H-pyrido[2,3-b]pyrazin-3-yl]-2-methylbenzonitrile?
The canonical SMILES for 3-[2-(7-chloro-2-oxo-1,3-dihydroindol-5-yl)-8-oxo-5H-pyrido[2,3-b]pyrazin-3-yl]-2-methylbenzonitrile is Cc1c(C#N)cccc1-c1nc2[nH]ccc(=O)c2nc1-c1cc(Cl)c2c(c1)CC(=O)N2.
What is the InChIKey of 3-[2-(7-chloro-2-oxo-1,3-dihydroindol-5-yl)-8-oxo-5H-pyrido[2,3-b]pyrazin-3-yl]-2-methylbenzonitrile?
The InChIKey is YSPATNLRMSLYJR-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H14ClN5O2/c1-11-12(10-25)3-2-4-15(11)21-20(28-22-17(30)5-6-26-23(22)29-21)13-7-14-9-18(31)27-19(14)16(24)8-13/h2-8H,9H2,1H3,(H,27,31)(H,26,29,30).
What are the key properties of 3-[2-(7-chloro-2-oxo-1,3-dihydroindol-5-yl)-8-oxo-5H-pyrido[2,3-b]pyrazin-3-yl]-2-methylbenzonitrile?
3-[2-(7-chloro-2-oxo-1,3-dihydroindol-5-yl)-8-oxo-5H-pyrido[2,3-b]pyrazin-3-yl]-2-methylbenzonitrile has a molecular weight of 427.85 g/mol, XLogP of 3.98, 2 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[2-(7-chloro-2-oxo-1,3-dihydroindol-5-yl)-8-oxo-5H-pyrido[2,3-b]pyrazin-3-yl]-2-methylbenzonitrile is sourced from PubChem (CID 154656504), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).