1-(4,6-dimethoxy-1,3,5-triazin-2-yl)-3-(4-methoxybenzoyl)indolizine-7-carbonitrile

C22H17N5O4 — CID 122189024

IUPAC1-(4,6-dimethoxy-1,3,5-triazin-2-yl)-3-(4-methoxybenzoyl)indolizine-7-carbonitrile
SMILESCOc1ccc(C(=O)c2cc(-c3nc(OC)nc(OC)n3)c3cc(C#N)ccn23)cc1
InChIInChI=1S/C22H17N5O4/c1-29-15-6-4-14(5-7-15)19(28)18-11-16(17-10-13(12-23)8-9-27(17)18)20-24-21(30-2)26-22(25-20)31-3/h4-11H,1-3H3
InChIKeySMATZYFULCLZLV-UHFFFAOYSA-N
MW415.41 g/mol
LogP2.92
Rot. Bonds6

About 1-(4,6-dimethoxy-1,3,5-triazin-2-yl)-3-(4-methoxybenzoyl)indolizine-7-carbonitrile

1-(4,6-dimethoxy-1,3,5-triazin-2-yl)-3-(4-methoxybenzoyl)indolizine-7-carbonitrile (PubChem CID 122189024) has the molecular formula C22H17N5O4 and a molecular weight of 415.41 g/mol. Its IUPAC name is 1-(4,6-dimethoxy-1,3,5-triazin-2-yl)-3-(4-methoxybenzoyl)indolizine-7-carbonitrile.

Molecular Properties

Compound Name1-(4,6-dimethoxy-1,3,5-triazin-2-yl)-3-(4-methoxybenzoyl)indolizine-7-carbonitrile
PubChem CID122189024
Molecular FormulaC22H17N5O4
Molecular Weight415.41 g/mol
Exact Mass415.13
IUPAC Name1-(4,6-dimethoxy-1,3,5-triazin-2-yl)-3-(4-methoxybenzoyl)indolizine-7-carbonitrile
SMILESCOc1ccc(C(=O)c2cc(-c3nc(OC)nc(OC)n3)c3cc(C#N)ccn23)cc1
InChIInChI=1S/C22H17N5O4/c1-29-15-6-4-14(5-7-15)19(28)18-11-16(17-10-13(12-23)8-9-27(17)18)20-24-21(30-2)26-22(25-20)31-3/h4-11H,1-3H3
InChIKeySMATZYFULCLZLV-UHFFFAOYSA-N
XLogP2.92
TPSA111.63 Ų
H-Bond Donors
H-Bond Acceptors9
Rotatable Bonds6
Heavy Atoms31
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500415.41
LogP ≤ 52.92
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 109

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Related Compounds

[1-(4-methoxyphenyl)-7-(trifluoromethyl)indolizin-3-yl]-phenylmethanone
CID 170222187
1-(4-methoxybenzoyl)pyrrolo[1,2-a]quinoxaline-3-carbonitrile
CID 10042094
ethyl 7-amino-3-(4-methoxybenzoyl)indolizine-1-carboxylate
CID 171462969
3-(4-methoxybenzoyl)-N-phenylindolizine-1-carboxamide
CID 132502558
4-[7-(methoxymethoxy)indolizine-3-carbonyl]benzonitrile
CID 86253004
(4-methoxyphenyl)-[1-[4-(trifluoromethyl)phenyl]indolizin-3-yl]methanone
CID 170222374
3-(4-methoxybenzoyl)-1H-indole-6-carbonitrile
CID 107916754
[1-[4-(2,5-dimethylphenyl)-1,3-thiazol-2-yl]indolizin-3-yl]-(4-methoxyphenyl)methanone
CID 124938249
1-[3-(4-methoxybenzoyl)-7-[(4-nitrophenyl)methyl]indolizin-1-yl]ethanone
CID 51056112
(4-fluoro-1,5-dimethylpyrrol-2-yl)-(4-methoxyphenyl)methanone
CID 67575174
ethyl 3-(4-methoxybenzoyl)-7-(trifluoromethyl)indolizine-1-carboxylate
CID 170530629
4-[[2,4-dibenzoyl-5-[(4-methoxyphenyl)methoxy]phenoxy]methyl]benzonitrile
CID 10325338

Frequently Asked Questions

What is the IUPAC name of 1-(4,6-dimethoxy-1,3,5-triazin-2-yl)-3-(4-methoxybenzoyl)indolizine-7-carbonitrile?
The IUPAC name of 1-(4,6-dimethoxy-1,3,5-triazin-2-yl)-3-(4-methoxybenzoyl)indolizine-7-carbonitrile (CID 122189024) is 1-(4,6-dimethoxy-1,3,5-triazin-2-yl)-3-(4-methoxybenzoyl)indolizine-7-carbonitrile.
What is the SMILES notation for 1-(4,6-dimethoxy-1,3,5-triazin-2-yl)-3-(4-methoxybenzoyl)indolizine-7-carbonitrile?
The canonical SMILES for 1-(4,6-dimethoxy-1,3,5-triazin-2-yl)-3-(4-methoxybenzoyl)indolizine-7-carbonitrile is COc1ccc(C(=O)c2cc(-c3nc(OC)nc(OC)n3)c3cc(C#N)ccn23)cc1.
What is the InChIKey of 1-(4,6-dimethoxy-1,3,5-triazin-2-yl)-3-(4-methoxybenzoyl)indolizine-7-carbonitrile?
The InChIKey is SMATZYFULCLZLV-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H17N5O4/c1-29-15-6-4-14(5-7-15)19(28)18-11-16(17-10-13(12-23)8-9-27(17)18)20-24-21(30-2)26-22(25-20)31-3/h4-11H,1-3H3.
What are the key properties of 1-(4,6-dimethoxy-1,3,5-triazin-2-yl)-3-(4-methoxybenzoyl)indolizine-7-carbonitrile?
1-(4,6-dimethoxy-1,3,5-triazin-2-yl)-3-(4-methoxybenzoyl)indolizine-7-carbonitrile has a molecular weight of 415.41 g/mol, XLogP of 2.92, 6 rotatable bonds, 0 hydrogen bond donors, and 9 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(4,6-dimethoxy-1,3,5-triazin-2-yl)-3-(4-methoxybenzoyl)indolizine-7-carbonitrile is sourced from PubChem (CID 122189024), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).