N-(1,3-benzodioxol-5-yl)-7-methyl-2-pyridin-2-ylimidazo[1,2-a]pyridin-3-amine

C20H16N4O2 — CID 12004827

IUPACN-(1,3-benzodioxol-5-yl)-7-methyl-2-pyridin-2-ylimidazo[1,2-a]pyridin-3-amine
SMILESCc1ccn2c(Nc3ccc4c(c3)OCO4)c(-c3ccccn3)nc2c1
InChIInChI=1S/C20H16N4O2/c1-13-7-9-24-18(10-13)23-19(15-4-2-3-8-21-15)20(24)22-14-5-6-16-17(11-14)26-12-25-16/h2-11,22H,12H2,1H3
InChIKeyJWDJPGYVOIXMPL-UHFFFAOYSA-N
MW344.37 g/mol
LogP4.18
Rot. Bonds3

About N-(1,3-benzodioxol-5-yl)-7-methyl-2-pyridin-2-ylimidazo[1,2-a]pyridin-3-amine

N-(1,3-benzodioxol-5-yl)-7-methyl-2-pyridin-2-ylimidazo[1,2-a]pyridin-3-amine (PubChem CID 12004827) has the molecular formula C20H16N4O2 and a molecular weight of 344.37 g/mol. Its IUPAC name is N-(1,3-benzodioxol-5-yl)-7-methyl-2-pyridin-2-ylimidazo[1,2-a]pyridin-3-amine.

Molecular Properties

Compound NameN-(1,3-benzodioxol-5-yl)-7-methyl-2-pyridin-2-ylimidazo[1,2-a]pyridin-3-amine
PubChem CID12004827
Molecular FormulaC20H16N4O2
Molecular Weight344.37 g/mol
Exact Mass344.13
IUPAC NameN-(1,3-benzodioxol-5-yl)-7-methyl-2-pyridin-2-ylimidazo[1,2-a]pyridin-3-amine
SMILESCc1ccn2c(Nc3ccc4c(c3)OCO4)c(-c3ccccn3)nc2c1
InChIInChI=1S/C20H16N4O2/c1-13-7-9-24-18(10-13)23-19(15-4-2-3-8-21-15)20(24)22-14-5-6-16-17(11-14)26-12-25-16/h2-11,22H,12H2,1H3
InChIKeyJWDJPGYVOIXMPL-UHFFFAOYSA-N
XLogP4.18
TPSA60.68 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds3
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500344.37
LogP ≤ 54.18
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'het_65_Db(5)', 'substructure': 'N/A'}

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Related Compounds

7-Pyridin-2-YL-N-(3,4,5-trimethoxyphenyl)-7H-pyrrolo(2,3-D)pyrimidin-2-amine
CID 11957393
2,4-Disubstituted Pyrimidine 2f
CID 5329419
Pyrazolo[1,5-b]pyridazine deriv. 26
CID 6539368
7-(3-methoxyphenyl)-N-[4-(4-methylpiperazin-1-yl)phenyl]-7H-pyrrolo[2,3-d]pyrimidin-2-amine
CID 23646630
3-{8-[(3,4-Dimethoxyphenyl)amino]imidazo[1,2-A]pyrazin-6-Yl}benzamide
CID 69000930
7-[4-(1,3-Benzodioxol-5-ylmethyl)piperazin-1-yl]-2,8,13-triazatricyclo[7.4.0.02,6]trideca-1(9),3,5,7,10,12-hexaene
CID 10548259
1-(1,3-Benzodioxol-5-yl)-7-fluoro-6-pyridin-4-ylbenzimidazole
CID 146315994
3-(1,3-Benzodioxol-5-yl)-5-pyridin-4-ylimidazo[4,5-b]pyridine
CID 146316060
1-[4-[4-(2-Amino-4-pyridinyl)butoxy]-3-methoxyphenyl]-1-cyclohexyl-3-[3-(5-methylimidazol-1-yl)propyl]thiourea
CID 166626228
1-[4-[4-(2-Amino-4-pyridinyl)butoxy]-3-methoxyphenyl]-1-cyclopentyl-3-[3-(5-methylimidazol-1-yl)propyl]thiourea
CID 166635250
1-[4-[4-(2-Amino-4-pyridinyl)butoxy]-3-methoxyphenyl]-1-benzyl-3-[3-(5-methylimidazol-1-yl)propyl]urea
CID 166636027
2-amino-1-[3-(1,3-benzodioxol-5-ylamino)-2-phenyl-6,8-dihydro-5H-imidazo[1,2-a]pyrazin-7-yl]ethanone
CID 45488686

Frequently Asked Questions

What is the IUPAC name of N-(1,3-benzodioxol-5-yl)-7-methyl-2-pyridin-2-ylimidazo[1,2-a]pyridin-3-amine?
The IUPAC name of N-(1,3-benzodioxol-5-yl)-7-methyl-2-pyridin-2-ylimidazo[1,2-a]pyridin-3-amine (CID 12004827) is N-(1,3-benzodioxol-5-yl)-7-methyl-2-pyridin-2-ylimidazo[1,2-a]pyridin-3-amine.
What is the SMILES notation for N-(1,3-benzodioxol-5-yl)-7-methyl-2-pyridin-2-ylimidazo[1,2-a]pyridin-3-amine?
The canonical SMILES for N-(1,3-benzodioxol-5-yl)-7-methyl-2-pyridin-2-ylimidazo[1,2-a]pyridin-3-amine is Cc1ccn2c(Nc3ccc4c(c3)OCO4)c(-c3ccccn3)nc2c1.
What is the InChIKey of N-(1,3-benzodioxol-5-yl)-7-methyl-2-pyridin-2-ylimidazo[1,2-a]pyridin-3-amine?
The InChIKey is JWDJPGYVOIXMPL-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H16N4O2/c1-13-7-9-24-18(10-13)23-19(15-4-2-3-8-21-15)20(24)22-14-5-6-16-17(11-14)26-12-25-16/h2-11,22H,12H2,1H3.
What are the key properties of N-(1,3-benzodioxol-5-yl)-7-methyl-2-pyridin-2-ylimidazo[1,2-a]pyridin-3-amine?
N-(1,3-benzodioxol-5-yl)-7-methyl-2-pyridin-2-ylimidazo[1,2-a]pyridin-3-amine has a molecular weight of 344.37 g/mol, XLogP of 4.18, 3 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-(1,3-benzodioxol-5-yl)-7-methyl-2-pyridin-2-ylimidazo[1,2-a]pyridin-3-amine is sourced from PubChem (CID 12004827), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).