3-(3-imidazo[1,2-a]pyridin-6-yl-7-methylidene-8H-1,8-naphthyridin-2-yl)-2-methylbenzonitrile

C24H17N5 — CID 163795945

IUPAC3-(3-imidazo[1,2-a]pyridin-6-yl-7-methylidene-8H-1,8-naphthyridin-2-yl)-2-methylbenzonitrile
SMILESC=C1C=Cc2cc(-c3ccc4nccn4c3)c(-c3cccc(C#N)c3C)nc2N1
InChIInChI=1S/C24H17N5/c1-15-6-7-17-12-21(19-8-9-22-26-10-11-29(22)14-19)23(28-24(17)27-15)20-5-3-4-18(13-25)16(20)2/h3-12,14H,1H2,2H3,(H,27,28)
InChIKeyYJWGEWLSYKCDNK-UHFFFAOYSA-N
MW375.44 g/mol
LogP5.20
Rot. Bonds2

About 3-(3-imidazo[1,2-a]pyridin-6-yl-7-methylidene-8H-1,8-naphthyridin-2-yl)-2-methylbenzonitrile

3-(3-imidazo[1,2-a]pyridin-6-yl-7-methylidene-8H-1,8-naphthyridin-2-yl)-2-methylbenzonitrile (PubChem CID 163795945) has the molecular formula C24H17N5 and a molecular weight of 375.44 g/mol. Its IUPAC name is 3-(3-imidazo[1,2-a]pyridin-6-yl-7-methylidene-8H-1,8-naphthyridin-2-yl)-2-methylbenzonitrile.

Molecular Properties

Compound Name3-(3-imidazo[1,2-a]pyridin-6-yl-7-methylidene-8H-1,8-naphthyridin-2-yl)-2-methylbenzonitrile
PubChem CID163795945
Molecular FormulaC24H17N5
Molecular Weight375.44 g/mol
Exact Mass375.15
IUPAC Name3-(3-imidazo[1,2-a]pyridin-6-yl-7-methylidene-8H-1,8-naphthyridin-2-yl)-2-methylbenzonitrile
SMILESC=C1C=Cc2cc(-c3ccc4nccn4c3)c(-c3cccc(C#N)c3C)nc2N1
InChIInChI=1S/C24H17N5/c1-15-6-7-17-12-21(19-8-9-22-26-10-11-29(22)14-19)23(28-24(17)27-15)20-5-3-4-18(13-25)16(20)2/h3-12,14H,1H2,2H3,(H,27,28)
InChIKeyYJWGEWLSYKCDNK-UHFFFAOYSA-N
XLogP5.20
TPSA66.01 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds2
Heavy Atoms29
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500375.44
LogP ≤ 55.20
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 3-(3-imidazo[1,2-a]pyridin-6-yl-7-methylidene-8H-1,8-naphthyridin-2-yl)-2-methylbenzonitrile?
The IUPAC name of 3-(3-imidazo[1,2-a]pyridin-6-yl-7-methylidene-8H-1,8-naphthyridin-2-yl)-2-methylbenzonitrile (CID 163795945) is 3-(3-imidazo[1,2-a]pyridin-6-yl-7-methylidene-8H-1,8-naphthyridin-2-yl)-2-methylbenzonitrile.
What is the SMILES notation for 3-(3-imidazo[1,2-a]pyridin-6-yl-7-methylidene-8H-1,8-naphthyridin-2-yl)-2-methylbenzonitrile?
The canonical SMILES for 3-(3-imidazo[1,2-a]pyridin-6-yl-7-methylidene-8H-1,8-naphthyridin-2-yl)-2-methylbenzonitrile is C=C1C=Cc2cc(-c3ccc4nccn4c3)c(-c3cccc(C#N)c3C)nc2N1.
What is the InChIKey of 3-(3-imidazo[1,2-a]pyridin-6-yl-7-methylidene-8H-1,8-naphthyridin-2-yl)-2-methylbenzonitrile?
The InChIKey is YJWGEWLSYKCDNK-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H17N5/c1-15-6-7-17-12-21(19-8-9-22-26-10-11-29(22)14-19)23(28-24(17)27-15)20-5-3-4-18(13-25)16(20)2/h3-12,14H,1H2,2H3,(H,27,28).
What are the key properties of 3-(3-imidazo[1,2-a]pyridin-6-yl-7-methylidene-8H-1,8-naphthyridin-2-yl)-2-methylbenzonitrile?
3-(3-imidazo[1,2-a]pyridin-6-yl-7-methylidene-8H-1,8-naphthyridin-2-yl)-2-methylbenzonitrile has a molecular weight of 375.44 g/mol, XLogP of 5.20, 2 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(3-imidazo[1,2-a]pyridin-6-yl-7-methylidene-8H-1,8-naphthyridin-2-yl)-2-methylbenzonitrile is sourced from PubChem (CID 163795945), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).