(1S,4S)-1-[2-(cyclopenten-1-yl)-3-pyridinyl]-5-(4-methoxyphenyl)-4-methylpentan-1-ol

C23H29NO2 — CID 162129414

IUPAC(1S,4S)-1-[2-(cyclopenten-1-yl)-3-pyridinyl]-5-(4-methoxyphenyl)-4-methylpentan-1-ol
SMILESCOc1ccc(C[C@@H](C)CC[C@H](O)c2cccnc2C2=CCCC2)cc1
InChIInChI=1S/C23H29NO2/c1-17(16-18-10-12-20(26-2)13-11-18)9-14-22(25)21-8-5-15-24-23(21)19-6-3-4-7-19/h5-6,8,10-13,15,17,22,25H,3-4,7,9,14,16H2,1-2H3/t17-,22-/m0/s1
InChIKeyZILUHZFTUXEEOF-JTSKRJEESA-N
MW351.49 g/mol
LogP5.35
Rot. Bonds8

About (1S,4S)-1-[2-(cyclopenten-1-yl)-3-pyridinyl]-5-(4-methoxyphenyl)-4-methylpentan-1-ol

(1S,4S)-1-[2-(cyclopenten-1-yl)-3-pyridinyl]-5-(4-methoxyphenyl)-4-methylpentan-1-ol (PubChem CID 162129414) has the molecular formula C23H29NO2 and a molecular weight of 351.49 g/mol. Its IUPAC name is (1S,4S)-1-[2-(cyclopenten-1-yl)-3-pyridinyl]-5-(4-methoxyphenyl)-4-methylpentan-1-ol.

Molecular Properties

Compound Name(1S,4S)-1-[2-(cyclopenten-1-yl)-3-pyridinyl]-5-(4-methoxyphenyl)-4-methylpentan-1-ol
PubChem CID162129414
Molecular FormulaC23H29NO2
Molecular Weight351.49 g/mol
Exact Mass351.22
IUPAC Name(1S,4S)-1-[2-(cyclopenten-1-yl)-3-pyridinyl]-5-(4-methoxyphenyl)-4-methylpentan-1-ol
SMILESCOc1ccc(C[C@@H](C)CC[C@H](O)c2cccnc2C2=CCCC2)cc1
InChIInChI=1S/C23H29NO2/c1-17(16-18-10-12-20(26-2)13-11-18)9-14-22(25)21-8-5-15-24-23(21)19-6-3-4-7-19/h5-6,8,10-13,15,17,22,25H,3-4,7,9,14,16H2,1-2H3/t17-,22-/m0/s1
InChIKeyZILUHZFTUXEEOF-JTSKRJEESA-N
XLogP5.35
TPSA42.35 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds8
Heavy Atoms26
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500351.49
LogP ≤ 55.35
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Analyze (1S,4S)-1-[2-(cyclopenten-1-yl)-3-pyridinyl]-5-(4-methoxyphenyl)-4-methylpentan-1-ol with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of (1S,4S)-1-[2-(cyclopenten-1-yl)-3-pyridinyl]-5-(4-methoxyphenyl)-4-methylpentan-1-ol?
The IUPAC name of (1S,4S)-1-[2-(cyclopenten-1-yl)-3-pyridinyl]-5-(4-methoxyphenyl)-4-methylpentan-1-ol (CID 162129414) is (1S,4S)-1-[2-(cyclopenten-1-yl)-3-pyridinyl]-5-(4-methoxyphenyl)-4-methylpentan-1-ol.
What is the SMILES notation for (1S,4S)-1-[2-(cyclopenten-1-yl)-3-pyridinyl]-5-(4-methoxyphenyl)-4-methylpentan-1-ol?
The canonical SMILES for (1S,4S)-1-[2-(cyclopenten-1-yl)-3-pyridinyl]-5-(4-methoxyphenyl)-4-methylpentan-1-ol is COc1ccc(C[C@@H](C)CC[C@H](O)c2cccnc2C2=CCCC2)cc1.
What is the InChIKey of (1S,4S)-1-[2-(cyclopenten-1-yl)-3-pyridinyl]-5-(4-methoxyphenyl)-4-methylpentan-1-ol?
The InChIKey is ZILUHZFTUXEEOF-JTSKRJEESA-N. The full InChI is InChI=1S/C23H29NO2/c1-17(16-18-10-12-20(26-2)13-11-18)9-14-22(25)21-8-5-15-24-23(21)19-6-3-4-7-19/h5-6,8,10-13,15,17,22,25H,3-4,7,9,14,16H2,1-2H3/t17-,22-/m0/s1.
What are the key properties of (1S,4S)-1-[2-(cyclopenten-1-yl)-3-pyridinyl]-5-(4-methoxyphenyl)-4-methylpentan-1-ol?
(1S,4S)-1-[2-(cyclopenten-1-yl)-3-pyridinyl]-5-(4-methoxyphenyl)-4-methylpentan-1-ol has a molecular weight of 351.49 g/mol, XLogP of 5.35, 8 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (1S,4S)-1-[2-(cyclopenten-1-yl)-3-pyridinyl]-5-(4-methoxyphenyl)-4-methylpentan-1-ol is sourced from PubChem (CID 162129414), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).