(3R,5R,9R,10S,13S,14S,17S)-17-imidazo[1,2-a]pyridin-2-yl-3,13-dimethyl-2,4,5,6,7,8,9,10,11,12,14,15,16,17-tetradecahydro-1H-cyclopenta[a]phenanthren-3-ol

C26H36N2O — CID 122452663

IUPAC(3R,5R,9R,10S,13S,14S,17S)-17-imidazo[1,2-a]pyridin-2-yl-3,13-dimethyl-2,4,5,6,7,8,9,10,11,12,14,15,16,17-tetradecahydro-1H-cyclopenta[a]phenanthren-3-ol
SMILESC[C@@]1(O)CC[C@H]2[C@H](CCC3[C@@H]2CC[C@]2(C)[C@@H](c4cn5ccccc5n4)CC[C@@H]32)C1
InChIInChI=1S/C26H36N2O/c1-25(29)12-10-18-17(15-25)6-7-20-19(18)11-13-26(2)21(20)8-9-22(26)23-16-28-14-4-3-5-24(28)27-23/h3-5,14,16-22,29H,6-13,15H2,1-2H3/t17-,18+,19-,20?,21+,22-,25-,26+/m1/s1
InChIKeyJRPQBUMAHBNXQO-YPRYSWBJSA-N
MW392.59 g/mol
LogP5.82
Rot. Bonds1

About (3R,5R,9R,10S,13S,14S,17S)-17-imidazo[1,2-a]pyridin-2-yl-3,13-dimethyl-2,4,5,6,7,8,9,10,11,12,14,15,16,17-tetradecahydro-1H-cyclopenta[a]phenanthren-3-ol

(3R,5R,9R,10S,13S,14S,17S)-17-imidazo[1,2-a]pyridin-2-yl-3,13-dimethyl-2,4,5,6,7,8,9,10,11,12,14,15,16,17-tetradecahydro-1H-cyclopenta[a]phenanthren-3-ol (PubChem CID 122452663) has the molecular formula C26H36N2O and a molecular weight of 392.59 g/mol. Its IUPAC name is (3R,5R,9R,10S,13S,14S,17S)-17-imidazo[1,2-a]pyridin-2-yl-3,13-dimethyl-2,4,5,6,7,8,9,10,11,12,14,15,16,17-tetradecahydro-1H-cyclopenta[a]phenanthren-3-ol.

Molecular Properties

Compound Name(3R,5R,9R,10S,13S,14S,17S)-17-imidazo[1,2-a]pyridin-2-yl-3,13-dimethyl-2,4,5,6,7,8,9,10,11,12,14,15,16,17-tetradecahydro-1H-cyclopenta[a]phenanthren-3-ol
PubChem CID122452663
Molecular FormulaC26H36N2O
Molecular Weight392.59 g/mol
Exact Mass392.28
IUPAC Name(3R,5R,9R,10S,13S,14S,17S)-17-imidazo[1,2-a]pyridin-2-yl-3,13-dimethyl-2,4,5,6,7,8,9,10,11,12,14,15,16,17-tetradecahydro-1H-cyclopenta[a]phenanthren-3-ol
SMILESC[C@@]1(O)CC[C@H]2[C@H](CCC3[C@@H]2CC[C@]2(C)[C@@H](c4cn5ccccc5n4)CC[C@@H]32)C1
InChIInChI=1S/C26H36N2O/c1-25(29)12-10-18-17(15-25)6-7-20-19(18)11-13-26(2)21(20)8-9-22(26)23-16-28-14-4-3-5-24(28)27-23/h3-5,14,16-22,29H,6-13,15H2,1-2H3/t17-,18+,19-,20?,21+,22-,25-,26+/m1/s1
InChIKeyJRPQBUMAHBNXQO-YPRYSWBJSA-N
XLogP5.82
TPSA37.53 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms29
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500392.59
LogP ≤ 55.82
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Analyze (3R,5R,9R,10S,13S,14S,17S)-17-imidazo[1,2-a]pyridin-2-yl-3,13-dimethyl-2,4,5,6,7,8,9,10,11,12,14,15,16,17-tetradecahydro-1H-cyclopenta[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

(3R,5R,8R,9R,10S,13S,14S,17S)-3,13-dimethyl-17-(1,2-oxazol-5-yl)-2,4,5,6,7,8,9,10,11,12,14,15,16,17-tetradecahydro-1H-cyclopenta[a]phenanthren-3-ol
CID 122452666
(3R,5S,8R,9R,10S,13S,14S,17S)-3,13-dimethyl-2,4,5,6,7,8,9,10,11,12,14,15,16,17-tetradecahydro-1H-cyclopenta[a]phenanthrene-3,17-diol
CID 153422632
1-(3-hydroxy-3,13-dimethyl-2,4,5,6,7,8,9,10,11,12,14,15,16,17-tetradecahydro-1H-cyclopenta[a]phenanthren-17-yl)-2-indazol-2-ylethanone
CID 123955110
1-[(3R,5R,8R,9R,10S,13S,14S,17S)-3-hydroxy-3,13-dimethyl-2,4,5,6,7,8,9,10,11,12,14,15,16,17-tetradecahydro-1H-cyclopenta[a]phenanthren-17-yl]-2-pyridin-2-ylethanone
CID 86296844
1-[(3R,5R,8R,9R,10S,13S,14S,17S)-3-hydroxy-3,13-dimethyl-2,4,5,6,7,8,9,10,11,12,14,15,16,17-tetradecahydro-1H-cyclopenta[a]phenanthren-17-yl]-2-(1-methylpyrrol-2-yl)ethanone
CID 118965639
(3R,8R,9R,10S,13S,14S,17S)-17-(hydroxymethyl)-3,13-dimethyl-2,4,5,6,7,8,9,10,11,12,14,15,16,17-tetradecahydro-1H-cyclopenta[a]phenanthren-3-ol
CID 146297452
(2R)-2-(benzotriazol-1-yl)-1-[(3R,5S,8R,9R,13S,14S,17S)-3-hydroxy-3,13-dimethyl-2,4,5,6,7,8,9,10,11,12,14,15,16,17-tetradecahydro-1H-cyclopenta[a]phenanthren-17-yl]propan-1-one
CID 163448327
1-[(3R,5R,10S,13S,17S)-3-hydroxy-3,13-dimethyl-2,4,5,6,7,8,9,10,11,12,14,15,16,17-tetradecahydro-1H-cyclopenta[a]phenanthren-17-yl]-2-(triazol-1-yl)ethanone
CID 118442431
(3R,5R,8R,9R,10S,13S,14S,17S)-17-[(1R)-1-hydroxyethyl]-3,13-dimethyl-2,4,5,6,7,8,9,10,11,12,14,15,16,17-tetradecahydro-1H-cyclopenta[a]phenanthren-3-ol
CID 146659382
1-[(3R,5R,8R,9R,10S,13S,14S,17S)-3-hydroxy-3,13-dimethyl-2,4,5,6,7,8,9,10,11,12,14,15,16,17-tetradecahydro-1H-cyclopenta[a]phenanthren-17-yl]-2-pyrazolo[5,4-b]pyridin-1-ylethanone
CID 86298424
(3R)-1-[[(3R,5R,8R,9R,10S,13S,14S,17S)-3-hydroxy-3,13-dimethyl-2,4,5,6,7,8,9,10,11,12,14,15,16,17-tetradecahydro-1H-cyclopenta[a]phenanthren-17-yl]methyl]-3-phenylpyrrolidin-2-one
CID 146628058
1-[(2S,5R,7R,14R)-5-hydroxy-5,14-dimethyl-13-tetracyclo[8.6.0.02,7.011,14]hexadecanyl]-3-pyrazol-1-ylpropan-2-one
CID 165371814

Frequently Asked Questions

What is the IUPAC name of (3R,5R,9R,10S,13S,14S,17S)-17-imidazo[1,2-a]pyridin-2-yl-3,13-dimethyl-2,4,5,6,7,8,9,10,11,12,14,15,16,17-tetradecahydro-1H-cyclopenta[a]phenanthren-3-ol?
The IUPAC name of (3R,5R,9R,10S,13S,14S,17S)-17-imidazo[1,2-a]pyridin-2-yl-3,13-dimethyl-2,4,5,6,7,8,9,10,11,12,14,15,16,17-tetradecahydro-1H-cyclopenta[a]phenanthren-3-ol (CID 122452663) is (3R,5R,9R,10S,13S,14S,17S)-17-imidazo[1,2-a]pyridin-2-yl-3,13-dimethyl-2,4,5,6,7,8,9,10,11,12,14,15,16,17-tetradecahydro-1H-cyclopenta[a]phenanthren-3-ol.
What is the SMILES notation for (3R,5R,9R,10S,13S,14S,17S)-17-imidazo[1,2-a]pyridin-2-yl-3,13-dimethyl-2,4,5,6,7,8,9,10,11,12,14,15,16,17-tetradecahydro-1H-cyclopenta[a]phenanthren-3-ol?
The canonical SMILES for (3R,5R,9R,10S,13S,14S,17S)-17-imidazo[1,2-a]pyridin-2-yl-3,13-dimethyl-2,4,5,6,7,8,9,10,11,12,14,15,16,17-tetradecahydro-1H-cyclopenta[a]phenanthren-3-ol is C[C@@]1(O)CC[C@H]2[C@H](CCC3[C@@H]2CC[C@]2(C)[C@@H](c4cn5ccccc5n4)CC[C@@H]32)C1.
What is the InChIKey of (3R,5R,9R,10S,13S,14S,17S)-17-imidazo[1,2-a]pyridin-2-yl-3,13-dimethyl-2,4,5,6,7,8,9,10,11,12,14,15,16,17-tetradecahydro-1H-cyclopenta[a]phenanthren-3-ol?
The InChIKey is JRPQBUMAHBNXQO-YPRYSWBJSA-N. The full InChI is InChI=1S/C26H36N2O/c1-25(29)12-10-18-17(15-25)6-7-20-19(18)11-13-26(2)21(20)8-9-22(26)23-16-28-14-4-3-5-24(28)27-23/h3-5,14,16-22,29H,6-13,15H2,1-2H3/t17-,18+,19-,20?,21+,22-,25-,26+/m1/s1.
What are the key properties of (3R,5R,9R,10S,13S,14S,17S)-17-imidazo[1,2-a]pyridin-2-yl-3,13-dimethyl-2,4,5,6,7,8,9,10,11,12,14,15,16,17-tetradecahydro-1H-cyclopenta[a]phenanthren-3-ol?
(3R,5R,9R,10S,13S,14S,17S)-17-imidazo[1,2-a]pyridin-2-yl-3,13-dimethyl-2,4,5,6,7,8,9,10,11,12,14,15,16,17-tetradecahydro-1H-cyclopenta[a]phenanthren-3-ol has a molecular weight of 392.59 g/mol, XLogP of 5.82, 1 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (3R,5R,9R,10S,13S,14S,17S)-17-imidazo[1,2-a]pyridin-2-yl-3,13-dimethyl-2,4,5,6,7,8,9,10,11,12,14,15,16,17-tetradecahydro-1H-cyclopenta[a]phenanthren-3-ol is sourced from PubChem (CID 122452663), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).