3-(5-cyclopentyloxy-4-methoxycyclohexa-1,5-dien-1-yl)-1H-pyrrolo[2,3-b]pyridine

C19H22N2O2 — CID 70328064

IUPAC3-(5-cyclopentyloxy-4-methoxycyclohexa-1,5-dien-1-yl)-1H-pyrrolo[2,3-b]pyridine
SMILESCOC1CC=C(c2c[nH]c3ncccc23)C=C1OC1CCCC1
InChIInChI=1S/C19H22N2O2/c1-22-17-9-8-13(11-18(17)23-14-5-2-3-6-14)16-12-21-19-15(16)7-4-10-20-19/h4,7-8,10-12,14,17H,2-3,5-6,9H2,1H3,(H,20,21)
InChIKeyMQCOPOHCMCIKDQ-UHFFFAOYSA-N
MW310.40 g/mol
LogP4.21
Rot. Bonds4

About 3-(5-cyclopentyloxy-4-methoxycyclohexa-1,5-dien-1-yl)-1H-pyrrolo[2,3-b]pyridine

3-(5-cyclopentyloxy-4-methoxycyclohexa-1,5-dien-1-yl)-1H-pyrrolo[2,3-b]pyridine (PubChem CID 70328064) has the molecular formula C19H22N2O2 and a molecular weight of 310.40 g/mol. Its IUPAC name is 3-(5-cyclopentyloxy-4-methoxycyclohexa-1,5-dien-1-yl)-1H-pyrrolo[2,3-b]pyridine.

Molecular Properties

Compound Name3-(5-cyclopentyloxy-4-methoxycyclohexa-1,5-dien-1-yl)-1H-pyrrolo[2,3-b]pyridine
PubChem CID70328064
Molecular FormulaC19H22N2O2
Molecular Weight310.40 g/mol
Exact Mass310.17
IUPAC Name3-(5-cyclopentyloxy-4-methoxycyclohexa-1,5-dien-1-yl)-1H-pyrrolo[2,3-b]pyridine
SMILESCOC1CC=C(c2c[nH]c3ncccc23)C=C1OC1CCCC1
InChIInChI=1S/C19H22N2O2/c1-22-17-9-8-13(11-18(17)23-14-5-2-3-6-14)16-12-21-19-15(16)7-4-10-20-19/h4,7-8,10-12,14,17H,2-3,5-6,9H2,1H3,(H,20,21)
InChIKeyMQCOPOHCMCIKDQ-UHFFFAOYSA-N
XLogP4.21
TPSA47.14 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500310.40
LogP ≤ 54.21
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 3-(5-cyclopentyloxy-4-methoxycyclohexa-1,5-dien-1-yl)-1H-pyrrolo[2,3-b]pyridine?
The IUPAC name of 3-(5-cyclopentyloxy-4-methoxycyclohexa-1,5-dien-1-yl)-1H-pyrrolo[2,3-b]pyridine (CID 70328064) is 3-(5-cyclopentyloxy-4-methoxycyclohexa-1,5-dien-1-yl)-1H-pyrrolo[2,3-b]pyridine.
What is the SMILES notation for 3-(5-cyclopentyloxy-4-methoxycyclohexa-1,5-dien-1-yl)-1H-pyrrolo[2,3-b]pyridine?
The canonical SMILES for 3-(5-cyclopentyloxy-4-methoxycyclohexa-1,5-dien-1-yl)-1H-pyrrolo[2,3-b]pyridine is COC1CC=C(c2c[nH]c3ncccc23)C=C1OC1CCCC1.
What is the InChIKey of 3-(5-cyclopentyloxy-4-methoxycyclohexa-1,5-dien-1-yl)-1H-pyrrolo[2,3-b]pyridine?
The InChIKey is MQCOPOHCMCIKDQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H22N2O2/c1-22-17-9-8-13(11-18(17)23-14-5-2-3-6-14)16-12-21-19-15(16)7-4-10-20-19/h4,7-8,10-12,14,17H,2-3,5-6,9H2,1H3,(H,20,21).
What are the key properties of 3-(5-cyclopentyloxy-4-methoxycyclohexa-1,5-dien-1-yl)-1H-pyrrolo[2,3-b]pyridine?
3-(5-cyclopentyloxy-4-methoxycyclohexa-1,5-dien-1-yl)-1H-pyrrolo[2,3-b]pyridine has a molecular weight of 310.40 g/mol, XLogP of 4.21, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(5-cyclopentyloxy-4-methoxycyclohexa-1,5-dien-1-yl)-1H-pyrrolo[2,3-b]pyridine is sourced from PubChem (CID 70328064), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).