4-[[3-(7H-cyclopenta[b]pyridin-3-yl)phenyl]methyl]pyrido[2,3-b]pyrazin-3-one

C22H16N4O — CID 158545035

IUPAC4-[[3-(7H-cyclopenta[b]pyridin-3-yl)phenyl]methyl]pyrido[2,3-b]pyrazin-3-one
SMILESO=c1cnc2cccnc2n1Cc1cccc(-c2cnc3c(c2)C=CC3)c1
InChIInChI=1S/C22H16N4O/c27-21-13-25-20-8-3-9-23-22(20)26(21)14-15-4-1-5-16(10-15)18-11-17-6-2-7-19(17)24-12-18/h1-6,8-13H,7,14H2
InChIKeyXRVDISKIIHQBTE-UHFFFAOYSA-N
MW352.40 g/mol
LogP3.47
Rot. Bonds3

About 4-[[3-(7H-cyclopenta[b]pyridin-3-yl)phenyl]methyl]pyrido[2,3-b]pyrazin-3-one

4-[[3-(7H-cyclopenta[b]pyridin-3-yl)phenyl]methyl]pyrido[2,3-b]pyrazin-3-one (PubChem CID 158545035) has the molecular formula C22H16N4O and a molecular weight of 352.40 g/mol. Its IUPAC name is 4-[[3-(7H-cyclopenta[b]pyridin-3-yl)phenyl]methyl]pyrido[2,3-b]pyrazin-3-one.

Molecular Properties

Compound Name4-[[3-(7H-cyclopenta[b]pyridin-3-yl)phenyl]methyl]pyrido[2,3-b]pyrazin-3-one
PubChem CID158545035
Molecular FormulaC22H16N4O
Molecular Weight352.40 g/mol
Exact Mass352.13
IUPAC Name4-[[3-(7H-cyclopenta[b]pyridin-3-yl)phenyl]methyl]pyrido[2,3-b]pyrazin-3-one
SMILESO=c1cnc2cccnc2n1Cc1cccc(-c2cnc3c(c2)C=CC3)c1
InChIInChI=1S/C22H16N4O/c27-21-13-25-20-8-3-9-23-22(20)26(21)14-15-4-1-5-16(10-15)18-11-17-6-2-7-19(17)24-12-18/h1-6,8-13H,7,14H2
InChIKeyXRVDISKIIHQBTE-UHFFFAOYSA-N
XLogP3.47
TPSA60.67 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500352.40
LogP ≤ 53.47
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 4-[[3-(7H-cyclopenta[b]pyridin-3-yl)phenyl]methyl]pyrido[2,3-b]pyrazin-3-one?
The IUPAC name of 4-[[3-(7H-cyclopenta[b]pyridin-3-yl)phenyl]methyl]pyrido[2,3-b]pyrazin-3-one (CID 158545035) is 4-[[3-(7H-cyclopenta[b]pyridin-3-yl)phenyl]methyl]pyrido[2,3-b]pyrazin-3-one.
What is the SMILES notation for 4-[[3-(7H-cyclopenta[b]pyridin-3-yl)phenyl]methyl]pyrido[2,3-b]pyrazin-3-one?
The canonical SMILES for 4-[[3-(7H-cyclopenta[b]pyridin-3-yl)phenyl]methyl]pyrido[2,3-b]pyrazin-3-one is O=c1cnc2cccnc2n1Cc1cccc(-c2cnc3c(c2)C=CC3)c1.
What is the InChIKey of 4-[[3-(7H-cyclopenta[b]pyridin-3-yl)phenyl]methyl]pyrido[2,3-b]pyrazin-3-one?
The InChIKey is XRVDISKIIHQBTE-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H16N4O/c27-21-13-25-20-8-3-9-23-22(20)26(21)14-15-4-1-5-16(10-15)18-11-17-6-2-7-19(17)24-12-18/h1-6,8-13H,7,14H2.
What are the key properties of 4-[[3-(7H-cyclopenta[b]pyridin-3-yl)phenyl]methyl]pyrido[2,3-b]pyrazin-3-one?
4-[[3-(7H-cyclopenta[b]pyridin-3-yl)phenyl]methyl]pyrido[2,3-b]pyrazin-3-one has a molecular weight of 352.40 g/mol, XLogP of 3.47, 3 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[[3-(7H-cyclopenta[b]pyridin-3-yl)phenyl]methyl]pyrido[2,3-b]pyrazin-3-one is sourced from PubChem (CID 158545035), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).