3-(1-cyclohexylpropyl)-1H-pyrrolo[2,3-b]pyridine

C16H22N2 — CID 174572842

IUPAC3-(1-cyclohexylpropyl)-1H-pyrrolo[2,3-b]pyridine
SMILESCCC(c1c[nH]c2ncccc12)C1CCCCC1
InChIInChI=1S/C16H22N2/c1-2-13(12-7-4-3-5-8-12)15-11-18-16-14(15)9-6-10-17-16/h6,9-13H,2-5,7-8H2,1H3,(H,17,18)
InChIKeyDQCPEUHQBNWGHO-UHFFFAOYSA-N
MW242.37 g/mol
LogP4.64
Rot. Bonds3

About 3-(1-cyclohexylpropyl)-1H-pyrrolo[2,3-b]pyridine

3-(1-cyclohexylpropyl)-1H-pyrrolo[2,3-b]pyridine (PubChem CID 174572842) has the molecular formula C16H22N2 and a molecular weight of 242.37 g/mol. Its IUPAC name is 3-(1-cyclohexylpropyl)-1H-pyrrolo[2,3-b]pyridine.

Molecular Properties

Compound Name3-(1-cyclohexylpropyl)-1H-pyrrolo[2,3-b]pyridine
PubChem CID174572842
Molecular FormulaC16H22N2
Molecular Weight242.37 g/mol
Exact Mass242.18
IUPAC Name3-(1-cyclohexylpropyl)-1H-pyrrolo[2,3-b]pyridine
SMILESCCC(c1c[nH]c2ncccc12)C1CCCCC1
InChIInChI=1S/C16H22N2/c1-2-13(12-7-4-3-5-8-12)15-11-18-16-14(15)9-6-10-17-16/h6,9-13H,2-5,7-8H2,1H3,(H,17,18)
InChIKeyDQCPEUHQBNWGHO-UHFFFAOYSA-N
XLogP4.64
TPSA28.68 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds3
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500242.37
LogP ≤ 54.64
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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Related Compounds

(1R)-1-(1H-pyrrolo[2,3-b]pyridin-3-yl)butan-1-amine
CID 131140420
N-[1-(1H-pyrrolo[2,3-b]pyridin-3-yl)ethyl]propan-1-amine
CID 115704290
pyrrolidin-2-yl(1H-pyrrolo[2,3-b]pyridin-3-yl)methanol
CID 64866594
N-cyclohexyl-2-(1H-pyrrolo[2,3-b]pyridin-3-yl)acetamide
CID 53014081
[6-(2-cyclohexylethyl)-3-pyridinyl]-(1H-pyrrolo[2,3-b]pyridin-3-yl)methanol
CID 58087761
1-amino-1-(1H-pyrrolo[2,3-b]pyridin-3-yl)propan-2-ol
CID 55271278
ethyl 2,3-dihydroxy-3-(1H-pyrrolo[2,3-b]pyridin-3-yl)propanoate
CID 171866265
(2S)-2-[1-(1H-pyrrolo[2,3-b]pyridin-3-yl)ethylamino]propan-1-ol
CID 103789032
3-(azetidin-2-yl)-1H-pyrrolo[2,3-b]pyridine
CID 55293524
N-(2-methoxyethyl)-1-(1H-pyrrolo[2,3-b]pyridin-3-yl)ethanamine
CID 115705603
N-ethyl-1H-pyrrolo[2,3-b]pyridin-3-amine
CID 141065993
N-methyl-3-phenyl-3-(1H-pyrrolo[2,3-b]pyridin-3-yl)propan-1-amine
CID 16725756

Frequently Asked Questions

What is the IUPAC name of 3-(1-cyclohexylpropyl)-1H-pyrrolo[2,3-b]pyridine?
The IUPAC name of 3-(1-cyclohexylpropyl)-1H-pyrrolo[2,3-b]pyridine (CID 174572842) is 3-(1-cyclohexylpropyl)-1H-pyrrolo[2,3-b]pyridine.
What is the SMILES notation for 3-(1-cyclohexylpropyl)-1H-pyrrolo[2,3-b]pyridine?
The canonical SMILES for 3-(1-cyclohexylpropyl)-1H-pyrrolo[2,3-b]pyridine is CCC(c1c[nH]c2ncccc12)C1CCCCC1.
What is the InChIKey of 3-(1-cyclohexylpropyl)-1H-pyrrolo[2,3-b]pyridine?
The InChIKey is DQCPEUHQBNWGHO-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H22N2/c1-2-13(12-7-4-3-5-8-12)15-11-18-16-14(15)9-6-10-17-16/h6,9-13H,2-5,7-8H2,1H3,(H,17,18).
What are the key properties of 3-(1-cyclohexylpropyl)-1H-pyrrolo[2,3-b]pyridine?
3-(1-cyclohexylpropyl)-1H-pyrrolo[2,3-b]pyridine has a molecular weight of 242.37 g/mol, XLogP of 4.64, 3 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(1-cyclohexylpropyl)-1H-pyrrolo[2,3-b]pyridine is sourced from PubChem (CID 174572842), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).