[6-[4-(4-methoxyphenyl)-6,7-dihydro-5H-cyclopenta[c]pyridin-1-yl]-3-pyridinyl]methanol

C21H20N2O2 — CID 166611203

IUPAC[6-[4-(4-methoxyphenyl)-6,7-dihydro-5H-cyclopenta[c]pyridin-1-yl]-3-pyridinyl]methanol
SMILESCOc1ccc(-c2cnc(-c3ccc(CO)cn3)c3c2CCC3)cc1
InChIInChI=1S/C21H20N2O2/c1-25-16-8-6-15(7-9-16)19-12-23-21(18-4-2-3-17(18)19)20-10-5-14(13-24)11-22-20/h5-12,24H,2-4,13H2,1H3
InChIKeyKQAJQYXYVATKOH-UHFFFAOYSA-N
MW332.40 g/mol
LogP3.80
Rot. Bonds4

About [6-[4-(4-methoxyphenyl)-6,7-dihydro-5H-cyclopenta[c]pyridin-1-yl]-3-pyridinyl]methanol

[6-[4-(4-methoxyphenyl)-6,7-dihydro-5H-cyclopenta[c]pyridin-1-yl]-3-pyridinyl]methanol (PubChem CID 166611203) has the molecular formula C21H20N2O2 and a molecular weight of 332.40 g/mol. Its IUPAC name is [6-[4-(4-methoxyphenyl)-6,7-dihydro-5H-cyclopenta[c]pyridin-1-yl]-3-pyridinyl]methanol.

Molecular Properties

Compound Name[6-[4-(4-methoxyphenyl)-6,7-dihydro-5H-cyclopenta[c]pyridin-1-yl]-3-pyridinyl]methanol
PubChem CID166611203
Molecular FormulaC21H20N2O2
Molecular Weight332.40 g/mol
Exact Mass332.15
IUPAC Name[6-[4-(4-methoxyphenyl)-6,7-dihydro-5H-cyclopenta[c]pyridin-1-yl]-3-pyridinyl]methanol
SMILESCOc1ccc(-c2cnc(-c3ccc(CO)cn3)c3c2CCC3)cc1
InChIInChI=1S/C21H20N2O2/c1-25-16-8-6-15(7-9-16)19-12-23-21(18-4-2-3-17(18)19)20-10-5-14(13-24)11-22-20/h5-12,24H,2-4,13H2,1H3
InChIKeyKQAJQYXYVATKOH-UHFFFAOYSA-N
XLogP3.80
TPSA55.24 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500332.40
LogP ≤ 53.80
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of [6-[4-(4-methoxyphenyl)-6,7-dihydro-5H-cyclopenta[c]pyridin-1-yl]-3-pyridinyl]methanol?
The IUPAC name of [6-[4-(4-methoxyphenyl)-6,7-dihydro-5H-cyclopenta[c]pyridin-1-yl]-3-pyridinyl]methanol (CID 166611203) is [6-[4-(4-methoxyphenyl)-6,7-dihydro-5H-cyclopenta[c]pyridin-1-yl]-3-pyridinyl]methanol.
What is the SMILES notation for [6-[4-(4-methoxyphenyl)-6,7-dihydro-5H-cyclopenta[c]pyridin-1-yl]-3-pyridinyl]methanol?
The canonical SMILES for [6-[4-(4-methoxyphenyl)-6,7-dihydro-5H-cyclopenta[c]pyridin-1-yl]-3-pyridinyl]methanol is COc1ccc(-c2cnc(-c3ccc(CO)cn3)c3c2CCC3)cc1.
What is the InChIKey of [6-[4-(4-methoxyphenyl)-6,7-dihydro-5H-cyclopenta[c]pyridin-1-yl]-3-pyridinyl]methanol?
The InChIKey is KQAJQYXYVATKOH-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H20N2O2/c1-25-16-8-6-15(7-9-16)19-12-23-21(18-4-2-3-17(18)19)20-10-5-14(13-24)11-22-20/h5-12,24H,2-4,13H2,1H3.
What are the key properties of [6-[4-(4-methoxyphenyl)-6,7-dihydro-5H-cyclopenta[c]pyridin-1-yl]-3-pyridinyl]methanol?
[6-[4-(4-methoxyphenyl)-6,7-dihydro-5H-cyclopenta[c]pyridin-1-yl]-3-pyridinyl]methanol has a molecular weight of 332.40 g/mol, XLogP of 3.80, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for [6-[4-(4-methoxyphenyl)-6,7-dihydro-5H-cyclopenta[c]pyridin-1-yl]-3-pyridinyl]methanol is sourced from PubChem (CID 166611203), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).