2-(2,3-dihydroindol-1-yl)ethyl 1-methylpyrrolo[2,3-c]pyridine-7-carboxylate

C19H19N3O2 — CID 167892135

IUPAC2-(2,3-dihydroindol-1-yl)ethyl 1-methylpyrrolo[2,3-c]pyridine-7-carboxylate
SMILESCn1ccc2ccnc(C(=O)OCCN3CCc4ccccc43)c21
InChIInChI=1S/C19H19N3O2/c1-21-10-7-15-6-9-20-17(18(15)21)19(23)24-13-12-22-11-8-14-4-2-3-5-16(14)22/h2-7,9-10H,8,11-13H2,1H3
InChIKeyOXDMTARDWVIKOM-UHFFFAOYSA-N
MW321.38 g/mol
LogP2.79
Rot. Bonds4

About 2-(2,3-dihydroindol-1-yl)ethyl 1-methylpyrrolo[2,3-c]pyridine-7-carboxylate

2-(2,3-dihydroindol-1-yl)ethyl 1-methylpyrrolo[2,3-c]pyridine-7-carboxylate (PubChem CID 167892135) has the molecular formula C19H19N3O2 and a molecular weight of 321.38 g/mol. Its IUPAC name is 2-(2,3-dihydroindol-1-yl)ethyl 1-methylpyrrolo[2,3-c]pyridine-7-carboxylate.

Molecular Properties

Compound Name2-(2,3-dihydroindol-1-yl)ethyl 1-methylpyrrolo[2,3-c]pyridine-7-carboxylate
PubChem CID167892135
Molecular FormulaC19H19N3O2
Molecular Weight321.38 g/mol
Exact Mass321.15
IUPAC Name2-(2,3-dihydroindol-1-yl)ethyl 1-methylpyrrolo[2,3-c]pyridine-7-carboxylate
SMILESCn1ccc2ccnc(C(=O)OCCN3CCc4ccccc43)c21
InChIInChI=1S/C19H19N3O2/c1-21-10-7-15-6-9-20-17(18(15)21)19(23)24-13-12-22-11-8-14-4-2-3-5-16(14)22/h2-7,9-10H,8,11-13H2,1H3
InChIKeyOXDMTARDWVIKOM-UHFFFAOYSA-N
XLogP2.79
TPSA47.36 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500321.38
LogP ≤ 52.79
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Related Compounds

2-(2,3-dihydroindol-1-yl)ethyl acetate
CID 174450799
1-(2-iodoethyl)-2,3-dihydroindole
CID 131082836
2-(2,3-dihydroindol-1-yl)ethanamine
CID 1072384
2-(2,3-dihydroindol-1-yl)ethanol;hydrochloride
CID 169005265
N-[3-(2,3-dihydroindol-1-yl)propyl]-1H-indazole-3-carboxamide
CID 38464745
1-[2-(4-fluorophenoxy)ethyl]-2,3-dihydroindole
CID 82089229
methyl 4-(2,3-dihydroindol-1-ylmethyl)benzoate
CID 6473082
1-[2-(2,3-dihydroindol-1-yl)ethyl]-3-(5-methoxy-1,3-thiazol-2-yl)urea
CID 138025268
2-(3,4-dihydro-2H-quinolin-1-yl)ethyl 3-(6-methyl-3-pyridinyl)prop-2-enoate
CID 91944269
1,3-bis(2,3-dihydroindol-1-yl)propan-1-one
CID 109034718
1-butyl-2,3-dihydroindole
CID 4167209
N'-[2-(2,3-dihydroindol-1-yl)-2-oxoethoxy]isoquinoline-1-carboximidamide
CID 126805364

Frequently Asked Questions

What is the IUPAC name of 2-(2,3-dihydroindol-1-yl)ethyl 1-methylpyrrolo[2,3-c]pyridine-7-carboxylate?
The IUPAC name of 2-(2,3-dihydroindol-1-yl)ethyl 1-methylpyrrolo[2,3-c]pyridine-7-carboxylate (CID 167892135) is 2-(2,3-dihydroindol-1-yl)ethyl 1-methylpyrrolo[2,3-c]pyridine-7-carboxylate.
What is the SMILES notation for 2-(2,3-dihydroindol-1-yl)ethyl 1-methylpyrrolo[2,3-c]pyridine-7-carboxylate?
The canonical SMILES for 2-(2,3-dihydroindol-1-yl)ethyl 1-methylpyrrolo[2,3-c]pyridine-7-carboxylate is Cn1ccc2ccnc(C(=O)OCCN3CCc4ccccc43)c21.
What is the InChIKey of 2-(2,3-dihydroindol-1-yl)ethyl 1-methylpyrrolo[2,3-c]pyridine-7-carboxylate?
The InChIKey is OXDMTARDWVIKOM-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H19N3O2/c1-21-10-7-15-6-9-20-17(18(15)21)19(23)24-13-12-22-11-8-14-4-2-3-5-16(14)22/h2-7,9-10H,8,11-13H2,1H3.
What are the key properties of 2-(2,3-dihydroindol-1-yl)ethyl 1-methylpyrrolo[2,3-c]pyridine-7-carboxylate?
2-(2,3-dihydroindol-1-yl)ethyl 1-methylpyrrolo[2,3-c]pyridine-7-carboxylate has a molecular weight of 321.38 g/mol, XLogP of 2.79, 4 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(2,3-dihydroindol-1-yl)ethyl 1-methylpyrrolo[2,3-c]pyridine-7-carboxylate is sourced from PubChem (CID 167892135), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).