(8S,9S,13S,14S)-2-methoxy-13-methyl-17-pyridin-4-yl-6,7,8,9,11,12,14,15-octahydrocyclopenta[a]phenanthren-3-ol

C24H27NO2 — CID 118713648

IUPAC(8S,9S,13S,14S)-2-methoxy-13-methyl-17-pyridin-4-yl-6,7,8,9,11,12,14,15-octahydrocyclopenta[a]phenanthren-3-ol
SMILESCOc1cc2c(cc1O)CC[C@@H]1[C@@H]2CC[C@]2(C)C(c3ccncc3)=CC[C@@H]12
InChIInChI=1S/C24H27NO2/c1-24-10-7-17-18(4-3-16-13-22(26)23(27-2)14-19(16)17)21(24)6-5-20(24)15-8-11-25-12-9-15/h5,8-9,11-14,17-18,21,26H,3-4,6-7,10H2,1-2H3/t17-,18+,21-,24+/m0/s1
InChIKeySNLYTJYJISZPAD-OPNQQPSUSA-N
MW361.49 g/mol
LogP5.35
Rot. Bonds2

About (8S,9S,13S,14S)-2-methoxy-13-methyl-17-pyridin-4-yl-6,7,8,9,11,12,14,15-octahydrocyclopenta[a]phenanthren-3-ol

(8S,9S,13S,14S)-2-methoxy-13-methyl-17-pyridin-4-yl-6,7,8,9,11,12,14,15-octahydrocyclopenta[a]phenanthren-3-ol (PubChem CID 118713648) has the molecular formula C24H27NO2 and a molecular weight of 361.49 g/mol. Its IUPAC name is (8S,9S,13S,14S)-2-methoxy-13-methyl-17-pyridin-4-yl-6,7,8,9,11,12,14,15-octahydrocyclopenta[a]phenanthren-3-ol.

Molecular Properties

Compound Name(8S,9S,13S,14S)-2-methoxy-13-methyl-17-pyridin-4-yl-6,7,8,9,11,12,14,15-octahydrocyclopenta[a]phenanthren-3-ol
PubChem CID118713648
Molecular FormulaC24H27NO2
Molecular Weight361.49 g/mol
Exact Mass361.20
IUPAC Name(8S,9S,13S,14S)-2-methoxy-13-methyl-17-pyridin-4-yl-6,7,8,9,11,12,14,15-octahydrocyclopenta[a]phenanthren-3-ol
SMILESCOc1cc2c(cc1O)CC[C@@H]1[C@@H]2CC[C@]2(C)C(c3ccncc3)=CC[C@@H]12
InChIInChI=1S/C24H27NO2/c1-24-10-7-17-18(4-3-16-13-22(26)23(27-2)14-19(16)17)21(24)6-5-20(24)15-8-11-25-12-9-15/h5,8-9,11-14,17-18,21,26H,3-4,6-7,10H2,1-2H3/t17-,18+,21-,24+/m0/s1
InChIKeySNLYTJYJISZPAD-OPNQQPSUSA-N
XLogP5.35
TPSA42.35 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms27
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500361.49
LogP ≤ 55.35
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Analyze (8S,9S,13S,14S)-2-methoxy-13-methyl-17-pyridin-4-yl-6,7,8,9,11,12,14,15-octahydrocyclopenta[a]phenanthren-3-ol with MolForge

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

Launch Full Analysis

Related Compounds

(8R,9S,14S)-3-hydroxy-2-methoxy-13-methyl-7,8,9,11,12,14,15,16-octahydro-6H-cyclopenta[a]phenanthren-17-one
CID 138394878
(7S)-13-methoxypentacyclo[8.8.0.02,7.05,7.011,16]octadeca-5,11,13,15-tetraen-14-ol
CID 142142938
(8R,9S,13S,14S)-2-methoxy-13-methyl-17-[(4-nitrophenyl)methoxyamino]-6,7,8,9,11,12,14,15-octahydrocyclopenta[a]phenanthren-3-ol
CID 91604489
(13'S)-2'-methoxy-13'-methylspiro[1,3-dioxolane-2,17'-7,8,9,11,12,14,15,16-octahydro-6H-cyclopenta[a]phenanthrene]-3'-ol
CID 58791089
[(8R,9S,13S,14S,17S)-3-hydroxy-2-methoxy-13-methyl-6,7,8,9,11,12,14,15,16,17-decahydrocyclopenta[a]phenanthren-17-yl] hydrogen sulfate
CID 101243150
CID 169423931
CID 169423931
(8R,9S,13S,14S)-3-hydroxy-2-methoxy-13-methyl-17-oxo-7,8,9,11,12,14,15,16-octahydro-6H-cyclopenta[a]phenanthrene-16-carbonitrile
CID 67235265
acetic acid;ethane;3-hydroxy-2-methoxy-13,16-dimethyl-7,8,9,11,12,14,15,16-octahydro-6H-cyclopenta[a]phenanthren-17-one
CID 142945037
2-[(8R,9S,13S,14S,17R)-3,17-dihydroxy-2-methoxy-13-methyl-7,8,9,11,12,14,15,16-octahydro-6H-cyclopenta[a]phenanthren-17-yl]acetonitrile
CID 163011107
(8S,9S,14S)-2-methoxy-17-methyl-7,8,9,11,12,14,15,16-octahydro-6H-cyclopenta[a]phenanthren-3-ol
CID 24788683
4-[[(8S,9S,13S,14S)-17-(5-methoxy-3-pyridinyl)-13-methyl-6,7,8,9,11,12,14,15-octahydrocyclopenta[a]phenanthren-3-yl]sulfonyl]butanoic acid
CID 118951589
(13S,17R)-17-[(4-tert-butylphenyl)methyl]-2-methoxy-13-methyl-7,8,9,11,12,14,15,16-octahydro-6H-cyclopenta[a]phenanthrene-3,17-diol
CID 10138691

Frequently Asked Questions

What is the IUPAC name of (8S,9S,13S,14S)-2-methoxy-13-methyl-17-pyridin-4-yl-6,7,8,9,11,12,14,15-octahydrocyclopenta[a]phenanthren-3-ol?
The IUPAC name of (8S,9S,13S,14S)-2-methoxy-13-methyl-17-pyridin-4-yl-6,7,8,9,11,12,14,15-octahydrocyclopenta[a]phenanthren-3-ol (CID 118713648) is (8S,9S,13S,14S)-2-methoxy-13-methyl-17-pyridin-4-yl-6,7,8,9,11,12,14,15-octahydrocyclopenta[a]phenanthren-3-ol.
What is the SMILES notation for (8S,9S,13S,14S)-2-methoxy-13-methyl-17-pyridin-4-yl-6,7,8,9,11,12,14,15-octahydrocyclopenta[a]phenanthren-3-ol?
The canonical SMILES for (8S,9S,13S,14S)-2-methoxy-13-methyl-17-pyridin-4-yl-6,7,8,9,11,12,14,15-octahydrocyclopenta[a]phenanthren-3-ol is COc1cc2c(cc1O)CC[C@@H]1[C@@H]2CC[C@]2(C)C(c3ccncc3)=CC[C@@H]12.
What is the InChIKey of (8S,9S,13S,14S)-2-methoxy-13-methyl-17-pyridin-4-yl-6,7,8,9,11,12,14,15-octahydrocyclopenta[a]phenanthren-3-ol?
The InChIKey is SNLYTJYJISZPAD-OPNQQPSUSA-N. The full InChI is InChI=1S/C24H27NO2/c1-24-10-7-17-18(4-3-16-13-22(26)23(27-2)14-19(16)17)21(24)6-5-20(24)15-8-11-25-12-9-15/h5,8-9,11-14,17-18,21,26H,3-4,6-7,10H2,1-2H3/t17-,18+,21-,24+/m0/s1.
What are the key properties of (8S,9S,13S,14S)-2-methoxy-13-methyl-17-pyridin-4-yl-6,7,8,9,11,12,14,15-octahydrocyclopenta[a]phenanthren-3-ol?
(8S,9S,13S,14S)-2-methoxy-13-methyl-17-pyridin-4-yl-6,7,8,9,11,12,14,15-octahydrocyclopenta[a]phenanthren-3-ol has a molecular weight of 361.49 g/mol, XLogP of 5.35, 2 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (8S,9S,13S,14S)-2-methoxy-13-methyl-17-pyridin-4-yl-6,7,8,9,11,12,14,15-octahydrocyclopenta[a]phenanthren-3-ol is sourced from PubChem (CID 118713648), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).