3-(2-methyl-1-phenylpropyl)-1H-pyrrolo[3,2-c]pyridine

C17H18N2 — CID 70909510

IUPAC3-(2-methyl-1-phenylpropyl)-1H-pyrrolo[3,2-c]pyridine
SMILESCC(C)C(c1ccccc1)c1c[nH]c2ccncc12
InChIInChI=1S/C17H18N2/c1-12(2)17(13-6-4-3-5-7-13)15-11-19-16-8-9-18-10-14(15)16/h3-12,17,19H,1-2H3
InChIKeyLKHFDSNUGMLGMG-UHFFFAOYSA-N
MW250.35 g/mol
LogP4.35
Rot. Bonds3

About 3-(2-methyl-1-phenylpropyl)-1H-pyrrolo[3,2-c]pyridine

3-(2-methyl-1-phenylpropyl)-1H-pyrrolo[3,2-c]pyridine (PubChem CID 70909510) has the molecular formula C17H18N2 and a molecular weight of 250.35 g/mol. Its IUPAC name is 3-(2-methyl-1-phenylpropyl)-1H-pyrrolo[3,2-c]pyridine.

Molecular Properties

Compound Name3-(2-methyl-1-phenylpropyl)-1H-pyrrolo[3,2-c]pyridine
PubChem CID70909510
Molecular FormulaC17H18N2
Molecular Weight250.35 g/mol
Exact Mass250.15
IUPAC Name3-(2-methyl-1-phenylpropyl)-1H-pyrrolo[3,2-c]pyridine
SMILESCC(C)C(c1ccccc1)c1c[nH]c2ccncc12
InChIInChI=1S/C17H18N2/c1-12(2)17(13-6-4-3-5-7-13)15-11-19-16-8-9-18-10-14(15)16/h3-12,17,19H,1-2H3
InChIKeyLKHFDSNUGMLGMG-UHFFFAOYSA-N
XLogP4.35
TPSA28.68 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds3
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500250.35
LogP ≤ 54.35
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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Related Compounds

2-(1H-pyrrolo[3,2-c]pyridin-3-yl)propanenitrile
CID 82412113
(1R,2R)-2-(1H-indol-3-yl)-1,2-diphenylethanol
CID 15981834
ethane;3-methyl-1H-pyrrolo[3,2-c]pyridine
CID 143713533
4-chloro-3-(2-methyl-1-pyridin-3-ylpropyl)-1H-pyrrolo[2,3-b]pyridine
CID 143475544
4-N-[1-(1H-indol-3-yl)ethyl]pyridine-3,4-diamine
CID 23619530
4-bromo-3-(1-phenylethyl)-1H-pyrrolo[2,3-c]pyridine
CID 102368288
3-propan-2-yl-1H-indole
CID 12534824
4-(1,2-diphenyl-2-pyridin-4-ylethyl)pyridine
CID 12691374
3-[cyclopenta-2,4-dien-1-yl(phenyl)methyl]-1H-indole
CID 102035886
(1R,2S)-2-(5-bromo-1H-indol-3-yl)-1,2-diphenylethanol
CID 102147782
N-methyl-N-[2-(1H-pyrrolo[3,2-c]pyridin-3-yl)ethyl]propan-2-amine
CID 167469236
3-[1H-indol-3-yl(pyridin-4-yl)methyl]-1-methylindole
CID 71444035

Frequently Asked Questions

What is the IUPAC name of 3-(2-methyl-1-phenylpropyl)-1H-pyrrolo[3,2-c]pyridine?
The IUPAC name of 3-(2-methyl-1-phenylpropyl)-1H-pyrrolo[3,2-c]pyridine (CID 70909510) is 3-(2-methyl-1-phenylpropyl)-1H-pyrrolo[3,2-c]pyridine.
What is the SMILES notation for 3-(2-methyl-1-phenylpropyl)-1H-pyrrolo[3,2-c]pyridine?
The canonical SMILES for 3-(2-methyl-1-phenylpropyl)-1H-pyrrolo[3,2-c]pyridine is CC(C)C(c1ccccc1)c1c[nH]c2ccncc12.
What is the InChIKey of 3-(2-methyl-1-phenylpropyl)-1H-pyrrolo[3,2-c]pyridine?
The InChIKey is LKHFDSNUGMLGMG-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H18N2/c1-12(2)17(13-6-4-3-5-7-13)15-11-19-16-8-9-18-10-14(15)16/h3-12,17,19H,1-2H3.
What are the key properties of 3-(2-methyl-1-phenylpropyl)-1H-pyrrolo[3,2-c]pyridine?
3-(2-methyl-1-phenylpropyl)-1H-pyrrolo[3,2-c]pyridine has a molecular weight of 250.35 g/mol, XLogP of 4.35, 3 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(2-methyl-1-phenylpropyl)-1H-pyrrolo[3,2-c]pyridine is sourced from PubChem (CID 70909510), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).