ethyl 5-(2-methylimidazo[4,5-c]pyridin-1-yl)-2,3-dihydro-1H-indene-2-carboxylate

C19H19N3O2 — CID 54229802

IUPACethyl 5-(2-methylimidazo[4,5-c]pyridin-1-yl)-2,3-dihydro-1H-indene-2-carboxylate
SMILESCCOC(=O)C1Cc2ccc(-n3c(C)nc4cnccc43)cc2C1
InChIInChI=1S/C19H19N3O2/c1-3-24-19(23)15-8-13-4-5-16(10-14(13)9-15)22-12(2)21-17-11-20-7-6-18(17)22/h4-7,10-11,15H,3,8-9H2,1-2H3
InChIKeyQILDNSJWQYCCCX-UHFFFAOYSA-N
MW321.38 g/mol
LogP3.01
Rot. Bonds3

About ethyl 5-(2-methylimidazo[4,5-c]pyridin-1-yl)-2,3-dihydro-1H-indene-2-carboxylate

ethyl 5-(2-methylimidazo[4,5-c]pyridin-1-yl)-2,3-dihydro-1H-indene-2-carboxylate (PubChem CID 54229802) has the molecular formula C19H19N3O2 and a molecular weight of 321.38 g/mol. Its IUPAC name is ethyl 5-(2-methylimidazo[4,5-c]pyridin-1-yl)-2,3-dihydro-1H-indene-2-carboxylate.

Molecular Properties

Compound Nameethyl 5-(2-methylimidazo[4,5-c]pyridin-1-yl)-2,3-dihydro-1H-indene-2-carboxylate
PubChem CID54229802
Molecular FormulaC19H19N3O2
Molecular Weight321.38 g/mol
Exact Mass321.15
IUPAC Nameethyl 5-(2-methylimidazo[4,5-c]pyridin-1-yl)-2,3-dihydro-1H-indene-2-carboxylate
SMILESCCOC(=O)C1Cc2ccc(-n3c(C)nc4cnccc43)cc2C1
InChIInChI=1S/C19H19N3O2/c1-3-24-19(23)15-8-13-4-5-16(10-14(13)9-15)22-12(2)21-17-11-20-7-6-18(17)22/h4-7,10-11,15H,3,8-9H2,1-2H3
InChIKeyQILDNSJWQYCCCX-UHFFFAOYSA-N
XLogP3.01
TPSA57.01 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500321.38
LogP ≤ 53.01
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Related Compounds

[4-(2-methylimidazo[4,5-c]pyridin-1-yl)phenyl]methyl acetate
CID 70185760
2-amino-1-[4-(2-methylimidazo[4,5-c]pyridin-1-yl)phenyl]ethanone;dihydrochloride
CID 67867992
ethyl (E)-3-hydroxy-3-[4-(2-methylimidazo[4,5-c]pyridin-1-yl)phenyl]-2-nitrosoprop-2-enoate
CID 135455657
3-[4-(2-methylimidazo[4,5-c]pyridin-1-yl)phenyl]propanoic acid
CID 57188942
ethyl 4-(2-chlorophenyl)-6-[4-(2-methylimidazo[4,5-c]pyridin-1-yl)phenyl]-2-oxo-3,4-dihydro-1H-pyrimidine-5-carboxylate
CID 19791285
3-[4-(2-methylimidazo[4,5-c]pyridin-1-yl)phenyl]butanoic acid
CID 67869197
ethyl (2R)-5-formyl-2,3-dihydro-1H-indene-2-carboxylate
CID 129386835
4-(2-chlorophenyl)-5-ethoxycarbonyl-2-methyl-6-[4-(2-methylimidazo[4,5-c]pyridin-1-yl)phenyl]-3,4-dihydropyridine-3-carboxylic acid
CID 54280569
7,8-dichloro-4-[4-(2-methylimidazo[4,5-c]pyridin-1-yl)phenyl]-1,3,4,5-tetrahydro-1-benzazepin-2-one
CID 10071745
3-O-cyclohexyl 5-O-ethyl 4-(2-chlorophenyl)-2-methyl-6-[4-(2-methylimidazo[4,5-c]pyridin-1-yl)phenyl]-1,4-dihydropyridine-3,5-dicarboxylate
CID 15005368
[4-(2-chlorophenyl)-5-ethoxycarbonyl-2-methyl-6-[4-(2-methylimidazo[4,5-c]pyridin-1-yl)phenyl]-1,4-dihydropyridin-3-yl]-phenylcarbamic acid
CID 67840264
2-amino-3,5-dichloro-N-[2-[4-(2-methylimidazo[4,5-c]pyridin-1-yl)phenyl]-2-oxoethyl]benzamide
CID 54443356

Frequently Asked Questions

What is the IUPAC name of ethyl 5-(2-methylimidazo[4,5-c]pyridin-1-yl)-2,3-dihydro-1H-indene-2-carboxylate?
The IUPAC name of ethyl 5-(2-methylimidazo[4,5-c]pyridin-1-yl)-2,3-dihydro-1H-indene-2-carboxylate (CID 54229802) is ethyl 5-(2-methylimidazo[4,5-c]pyridin-1-yl)-2,3-dihydro-1H-indene-2-carboxylate.
What is the SMILES notation for ethyl 5-(2-methylimidazo[4,5-c]pyridin-1-yl)-2,3-dihydro-1H-indene-2-carboxylate?
The canonical SMILES for ethyl 5-(2-methylimidazo[4,5-c]pyridin-1-yl)-2,3-dihydro-1H-indene-2-carboxylate is CCOC(=O)C1Cc2ccc(-n3c(C)nc4cnccc43)cc2C1.
What is the InChIKey of ethyl 5-(2-methylimidazo[4,5-c]pyridin-1-yl)-2,3-dihydro-1H-indene-2-carboxylate?
The InChIKey is QILDNSJWQYCCCX-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H19N3O2/c1-3-24-19(23)15-8-13-4-5-16(10-14(13)9-15)22-12(2)21-17-11-20-7-6-18(17)22/h4-7,10-11,15H,3,8-9H2,1-2H3.
What are the key properties of ethyl 5-(2-methylimidazo[4,5-c]pyridin-1-yl)-2,3-dihydro-1H-indene-2-carboxylate?
ethyl 5-(2-methylimidazo[4,5-c]pyridin-1-yl)-2,3-dihydro-1H-indene-2-carboxylate has a molecular weight of 321.38 g/mol, XLogP of 3.01, 3 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for ethyl 5-(2-methylimidazo[4,5-c]pyridin-1-yl)-2,3-dihydro-1H-indene-2-carboxylate is sourced from PubChem (CID 54229802), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).