5-[(5R,8R,9S,10S,13R,14S,17R)-14-hydroxy-10,13-dimethyl-3-(methylamino)-1,2,3,4,5,6,7,8,9,11,12,15,16,17-tetradecahydrocyclopenta[a]phenanthren-17-yl]pyran-2-one;N-[(5R,8R,9S,10S,13R,14S,17R)-14-hydroxy-10,13-dimethyl-17-(6-oxopyran-3-yl)-1,2,3,4,5,6,7,8,9,11,12,15,16,17-tetradecahydrocyclopenta[a]phenanthren-3-yl]-N-methylmorpholine-4-carboxamide;methane;morpholine-4-carbonyl chloride

C61H93ClN4O10 — CID 157401723

IUPAC5-[(5R,8R,9S,10S,13R,14S,17R)-14-hydroxy-10,13-dimethyl-3-(methylamino)-1,2,3,4,5,6,7,8,9,11,12,15,16,17-tetradecahydrocyclopenta[a]phenanthren-17-yl]pyran-2-one;N-[(5R,8R,9S,10S,13R,14S,17R)-14-hydroxy-10,13-dimethyl-17-(6-oxopyran-3-yl)-1,2,3,4,5,6,7,8,9,11,12,15,16,17-tetradecahydrocyclopenta[a]phenanthren-3-yl]-N-methylmorpholine-4-carboxamide;methane;morpholine-4-carbonyl chloride
SMILESC.CN(C(=O)N1CCOCC1)C1CC[C@@]2(C)[C@H](CC[C@@H]3[C@@H]2CC[C@]2(C)[C@@H](c4ccc(=O)oc4)CC[C@]32O)C1.CNC1CC[C@@]2(C)[C@H](CC[C@@H]3[C@@H]2CC[C@]2(C)[C@@H](c4ccc(=O)oc4)CC[C@]32O)C1.O=C(Cl)N1CCOCC1
InChIInChI=1S/C30H44N2O5.C25H37NO3.C5H8ClNO2.CH4/c1-28-11-8-22(31(3)27(34)32-14-16-36-17-15-32)18-21(28)5-6-25-24(28)9-12-29(2)23(10-13-30(25,29)35)20-4-7-26(33)37-19-20;1-23-11-8-18(26-3)14-17(23)5-6-21-20(23)9-12-24(2)19(10-13-25(21,24)28)16-4-7-22(27)29-15-16;6-5(8)7-1-3-9-4-2-7;/h4,7,19,21-25,35H,5-6,8-18H2,1-3H3;4,7,15,17-21,26,28H,5-6,8-14H2,1-3H3;1-4H2;1H4/t21-,22?,23-,24+,25-,28+,29-,30+;17-,18?,19-,20+,21-,23+,24-,25+;;/m11../s1
InChIKeyBNGBKOSIYHSNET-JWLUXFNRSA-N
MW1077.89 g/mol
LogP10.42
Rot. Bonds4

About 5-[(5R,8R,9S,10S,13R,14S,17R)-14-hydroxy-10,13-dimethyl-3-(methylamino)-1,2,3,4,5,6,7,8,9,11,12,15,16,17-tetradecahydrocyclopenta[a]phenanthren-17-yl]pyran-2-one;N-[(5R,8R,9S,10S,13R,14S,17R)-14-hydroxy-10,13-dimethyl-17-(6-oxopyran-3-yl)-1,2,3,4,5,6,7,8,9,11,12,15,16,17-tetradecahydrocyclopenta[a]phenanthren-3-yl]-N-methylmorpholine-4-carboxamide;methane;morpholine-4-carbonyl chloride

5-[(5R,8R,9S,10S,13R,14S,17R)-14-hydroxy-10,13-dimethyl-3-(methylamino)-1,2,3,4,5,6,7,8,9,11,12,15,16,17-tetradecahydrocyclopenta[a]phenanthren-17-yl]pyran-2-one;N-[(5R,8R,9S,10S,13R,14S,17R)-14-hydroxy-10,13-dimethyl-17-(6-oxopyran-3-yl)-1,2,3,4,5,6,7,8,9,11,12,15,16,17-tetradecahydrocyclopenta[a]phenanthren-3-yl]-N-methylmorpholine-4-carboxamide;methane;morpholine-4-carbonyl chloride (PubChem CID 157401723) has the molecular formula C61H93ClN4O10 and a molecular weight of 1077.89 g/mol. Its IUPAC name is 5-[(5R,8R,9S,10S,13R,14S,17R)-14-hydroxy-10,13-dimethyl-3-(methylamino)-1,2,3,4,5,6,7,8,9,11,12,15,16,17-tetradecahydrocyclopenta[a]phenanthren-17-yl]pyran-2-one;N-[(5R,8R,9S,10S,13R,14S,17R)-14-hydroxy-10,13-dimethyl-17-(6-oxopyran-3-yl)-1,2,3,4,5,6,7,8,9,11,12,15,16,17-tetradecahydrocyclopenta[a]phenanthren-3-yl]-N-methylmorpholine-4-carboxamide;methane;morpholine-4-carbonyl chloride.

Molecular Properties

Compound Name5-[(5R,8R,9S,10S,13R,14S,17R)-14-hydroxy-10,13-dimethyl-3-(methylamino)-1,2,3,4,5,6,7,8,9,11,12,15,16,17-tetradecahydrocyclopenta[a]phenanthren-17-yl]pyran-2-one;N-[(5R,8R,9S,10S,13R,14S,17R)-14-hydroxy-10,13-dimethyl-17-(6-oxopyran-3-yl)-1,2,3,4,5,6,7,8,9,11,12,15,16,17-tetradecahydrocyclopenta[a]phenanthren-3-yl]-N-methylmorpholine-4-carboxamide;methane;morpholine-4-carbonyl chloride
PubChem CID157401723
Molecular FormulaC61H93ClN4O10
Molecular Weight1077.89 g/mol
Exact Mass1076.66
IUPAC Name5-[(5R,8R,9S,10S,13R,14S,17R)-14-hydroxy-10,13-dimethyl-3-(methylamino)-1,2,3,4,5,6,7,8,9,11,12,15,16,17-tetradecahydrocyclopenta[a]phenanthren-17-yl]pyran-2-one;N-[(5R,8R,9S,10S,13R,14S,17R)-14-hydroxy-10,13-dimethyl-17-(6-oxopyran-3-yl)-1,2,3,4,5,6,7,8,9,11,12,15,16,17-tetradecahydrocyclopenta[a]phenanthren-3-yl]-N-methylmorpholine-4-carboxamide;methane;morpholine-4-carbonyl chloride
SMILESC.CN(C(=O)N1CCOCC1)C1CC[C@@]2(C)[C@H](CC[C@@H]3[C@@H]2CC[C@]2(C)[C@@H](c4ccc(=O)oc4)CC[C@]32O)C1.CNC1CC[C@@]2(C)[C@H](CC[C@@H]3[C@@H]2CC[C@]2(C)[C@@H](c4ccc(=O)oc4)CC[C@]32O)C1.O=C(Cl)N1CCOCC1
InChIInChI=1S/C30H44N2O5.C25H37NO3.C5H8ClNO2.CH4/c1-28-11-8-22(31(3)27(34)32-14-16-36-17-15-32)18-21(28)5-6-25-24(28)9-12-29(2)23(10-13-30(25,29)35)20-4-7-26(33)37-19-20;1-23-11-8-18(26-3)14-17(23)5-6-21-20(23)9-12-24(2)19(10-13-25(21,24)28)16-4-7-22(27)29-15-16;6-5(8)7-1-3-9-4-2-7;/h4,7,19,21-25,35H,5-6,8-18H2,1-3H3;4,7,15,17-21,26,28H,5-6,8-14H2,1-3H3;1-4H2;1H4/t21-,22?,23-,24+,25-,28+,29-,30+;17-,18?,19-,20+,21-,23+,24-,25+;;/m11../s1
InChIKeyBNGBKOSIYHSNET-JWLUXFNRSA-N
XLogP10.42
TPSA175.23 Ų
H-Bond Donors3
H-Bond Acceptors11
Rotatable Bonds4
Heavy Atoms76
Complexity—

Lipinski Rule of Five

3 violations

RuleValue
MW ≤ 5001077.89
LogP ≤ 510.42
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 1011

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'acid_halide', 'substructure': 'N/A'}, {'alert_name': 'N-C-halo', 'substructure': 'N/A'}

Analyze 5-[(5R,8R,9S,10S,13R,14S,17R)-14-hydroxy-10,13-dimethyl-3-(methylamino)-1,2,3,4,5,6,7,8,9,11,12,15,16,17-tetradecahydrocyclopenta[a]phenanthren-17-yl]pyran-2-one;N-[(5R,8R,9S,10S,13R,14S,17R)-14-hydroxy-10,13-dimethyl-17-(6-oxopyran-3-yl)-1,2,3,4,5,6,7,8,9,11,12,15,16,17-tetradecahydrocyclopenta[a]phenanthren-3-yl]-N-methylmorpholine-4-carboxamide;methane;morpholine-4-carbonyl chloride 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 5-[(5R,8R,9S,10S,13R,14S,17R)-14-hydroxy-10,13-dimethyl-3-(methylamino)-1,2,3,4,5,6,7,8,9,11,12,15,16,17-tetradecahydrocyclopenta[a]phenanthren-17-yl]pyran-2-one;N-[(5R,8R,9S,10S,13R,14S,17R)-14-hydroxy-10,13-dimethyl-17-(6-oxopyran-3-yl)-1,2,3,4,5,6,7,8,9,11,12,15,16,17-tetradecahydrocyclopenta[a]phenanthren-3-yl]-N-methylmorpholine-4-carboxamide;methane;morpholine-4-carbonyl chloride?
The IUPAC name of 5-[(5R,8R,9S,10S,13R,14S,17R)-14-hydroxy-10,13-dimethyl-3-(methylamino)-1,2,3,4,5,6,7,8,9,11,12,15,16,17-tetradecahydrocyclopenta[a]phenanthren-17-yl]pyran-2-one;N-[(5R,8R,9S,10S,13R,14S,17R)-14-hydroxy-10,13-dimethyl-17-(6-oxopyran-3-yl)-1,2,3,4,5,6,7,8,9,11,12,15,16,17-tetradecahydrocyclopenta[a]phenanthren-3-yl]-N-methylmorpholine-4-carboxamide;methane;morpholine-4-carbonyl chloride (CID 157401723) is 5-[(5R,8R,9S,10S,13R,14S,17R)-14-hydroxy-10,13-dimethyl-3-(methylamino)-1,2,3,4,5,6,7,8,9,11,12,15,16,17-tetradecahydrocyclopenta[a]phenanthren-17-yl]pyran-2-one;N-[(5R,8R,9S,10S,13R,14S,17R)-14-hydroxy-10,13-dimethyl-17-(6-oxopyran-3-yl)-1,2,3,4,5,6,7,8,9,11,12,15,16,17-tetradecahydrocyclopenta[a]phenanthren-3-yl]-N-methylmorpholine-4-carboxamide;methane;morpholine-4-carbonyl chloride.
What is the SMILES notation for 5-[(5R,8R,9S,10S,13R,14S,17R)-14-hydroxy-10,13-dimethyl-3-(methylamino)-1,2,3,4,5,6,7,8,9,11,12,15,16,17-tetradecahydrocyclopenta[a]phenanthren-17-yl]pyran-2-one;N-[(5R,8R,9S,10S,13R,14S,17R)-14-hydroxy-10,13-dimethyl-17-(6-oxopyran-3-yl)-1,2,3,4,5,6,7,8,9,11,12,15,16,17-tetradecahydrocyclopenta[a]phenanthren-3-yl]-N-methylmorpholine-4-carboxamide;methane;morpholine-4-carbonyl chloride?
The canonical SMILES for 5-[(5R,8R,9S,10S,13R,14S,17R)-14-hydroxy-10,13-dimethyl-3-(methylamino)-1,2,3,4,5,6,7,8,9,11,12,15,16,17-tetradecahydrocyclopenta[a]phenanthren-17-yl]pyran-2-one;N-[(5R,8R,9S,10S,13R,14S,17R)-14-hydroxy-10,13-dimethyl-17-(6-oxopyran-3-yl)-1,2,3,4,5,6,7,8,9,11,12,15,16,17-tetradecahydrocyclopenta[a]phenanthren-3-yl]-N-methylmorpholine-4-carboxamide;methane;morpholine-4-carbonyl chloride is C.CN(C(=O)N1CCOCC1)C1CC[C@@]2(C)[C@H](CC[C@@H]3[C@@H]2CC[C@]2(C)[C@@H](c4ccc(=O)oc4)CC[C@]32O)C1.CNC1CC[C@@]2(C)[C@H](CC[C@@H]3[C@@H]2CC[C@]2(C)[C@@H](c4ccc(=O)oc4)CC[C@]32O)C1.O=C(Cl)N1CCOCC1.
What is the InChIKey of 5-[(5R,8R,9S,10S,13R,14S,17R)-14-hydroxy-10,13-dimethyl-3-(methylamino)-1,2,3,4,5,6,7,8,9,11,12,15,16,17-tetradecahydrocyclopenta[a]phenanthren-17-yl]pyran-2-one;N-[(5R,8R,9S,10S,13R,14S,17R)-14-hydroxy-10,13-dimethyl-17-(6-oxopyran-3-yl)-1,2,3,4,5,6,7,8,9,11,12,15,16,17-tetradecahydrocyclopenta[a]phenanthren-3-yl]-N-methylmorpholine-4-carboxamide;methane;morpholine-4-carbonyl chloride?
The InChIKey is BNGBKOSIYHSNET-JWLUXFNRSA-N. The full InChI is InChI=1S/C30H44N2O5.C25H37NO3.C5H8ClNO2.CH4/c1-28-11-8-22(31(3)27(34)32-14-16-36-17-15-32)18-21(28)5-6-25-24(28)9-12-29(2)23(10-13-30(25,29)35)20-4-7-26(33)37-19-20;1-23-11-8-18(26-3)14-17(23)5-6-21-20(23)9-12-24(2)19(10-13-25(21,24)28)16-4-7-22(27)29-15-16;6-5(8)7-1-3-9-4-2-7;/h4,7,19,21-25,35H,5-6,8-18H2,1-3H3;4,7,15,17-21,26,28H,5-6,8-14H2,1-3H3;1-4H2;1H4/t21-,22?,23-,24+,25-,28+,29-,30+;17-,18?,19-,20+,21-,23+,24-,25+;;/m11../s1.
What are the key properties of 5-[(5R,8R,9S,10S,13R,14S,17R)-14-hydroxy-10,13-dimethyl-3-(methylamino)-1,2,3,4,5,6,7,8,9,11,12,15,16,17-tetradecahydrocyclopenta[a]phenanthren-17-yl]pyran-2-one;N-[(5R,8R,9S,10S,13R,14S,17R)-14-hydroxy-10,13-dimethyl-17-(6-oxopyran-3-yl)-1,2,3,4,5,6,7,8,9,11,12,15,16,17-tetradecahydrocyclopenta[a]phenanthren-3-yl]-N-methylmorpholine-4-carboxamide;methane;morpholine-4-carbonyl chloride?
5-[(5R,8R,9S,10S,13R,14S,17R)-14-hydroxy-10,13-dimethyl-3-(methylamino)-1,2,3,4,5,6,7,8,9,11,12,15,16,17-tetradecahydrocyclopenta[a]phenanthren-17-yl]pyran-2-one;N-[(5R,8R,9S,10S,13R,14S,17R)-14-hydroxy-10,13-dimethyl-17-(6-oxopyran-3-yl)-1,2,3,4,5,6,7,8,9,11,12,15,16,17-tetradecahydrocyclopenta[a]phenanthren-3-yl]-N-methylmorpholine-4-carboxamide;methane;morpholine-4-carbonyl chloride has a molecular weight of 1077.89 g/mol, XLogP of 10.42, 4 rotatable bonds, 3 hydrogen bond donors, and 11 hydrogen bond acceptors.
Where does this data come from?
All data for 5-[(5R,8R,9S,10S,13R,14S,17R)-14-hydroxy-10,13-dimethyl-3-(methylamino)-1,2,3,4,5,6,7,8,9,11,12,15,16,17-tetradecahydrocyclopenta[a]phenanthren-17-yl]pyran-2-one;N-[(5R,8R,9S,10S,13R,14S,17R)-14-hydroxy-10,13-dimethyl-17-(6-oxopyran-3-yl)-1,2,3,4,5,6,7,8,9,11,12,15,16,17-tetradecahydrocyclopenta[a]phenanthren-3-yl]-N-methylmorpholine-4-carboxamide;methane;morpholine-4-carbonyl chloride is sourced from PubChem (CID 157401723), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).