(1R,9S,10S,13S)-17-(cyclopropylmethyl)-4,10-dihydroxyspiro[17-azatetracyclo[7.5.3.01,10.02,7]heptadeca-2(7),3,5-triene-13,5'-imidazolidine]-2',4',8-trione

C22H25N3O5 — CID 91810846

IUPAC(1R,9S,10S,13S)-17-(cyclopropylmethyl)-4,10-dihydroxyspiro[17-azatetracyclo[7.5.3.01,10.02,7]heptadeca-2(7),3,5-triene-13,5'-imidazolidine]-2',4',8-trione
SMILESO=C1NC(=O)[C@@]2(CC[C@@]3(O)[C@H]4C(=O)c5ccc(O)cc5[C@@]3(CCN4CC3CC3)C2)N1
InChIInChI=1S/C22H25N3O5/c26-13-3-4-14-15(9-13)20-7-8-25(10-12-1-2-12)17(16(14)27)22(20,30)6-5-21(11-20)18(28)23-19(29)24-21/h3-4,9,12,17,26,30H,1-2,5-8,10-11H2,(H2,23,24,28,29)/t17-,20-,21+,22-/m1/s1
InChIKeyVOYKPOCRWUIIQT-HLRQEUIKSA-N
MW411.46 g/mol
LogP0.80
Rot. Bonds2

About (1R,9S,10S,13S)-17-(cyclopropylmethyl)-4,10-dihydroxyspiro[17-azatetracyclo[7.5.3.01,10.02,7]heptadeca-2(7),3,5-triene-13,5'-imidazolidine]-2',4',8-trione

(1R,9S,10S,13S)-17-(cyclopropylmethyl)-4,10-dihydroxyspiro[17-azatetracyclo[7.5.3.01,10.02,7]heptadeca-2(7),3,5-triene-13,5'-imidazolidine]-2',4',8-trione (PubChem CID 91810846) has the molecular formula C22H25N3O5 and a molecular weight of 411.46 g/mol. Its IUPAC name is (1R,9S,10S,13S)-17-(cyclopropylmethyl)-4,10-dihydroxyspiro[17-azatetracyclo[7.5.3.01,10.02,7]heptadeca-2(7),3,5-triene-13,5'-imidazolidine]-2',4',8-trione.

Molecular Properties

Compound Name(1R,9S,10S,13S)-17-(cyclopropylmethyl)-4,10-dihydroxyspiro[17-azatetracyclo[7.5.3.01,10.02,7]heptadeca-2(7),3,5-triene-13,5'-imidazolidine]-2',4',8-trione
PubChem CID91810846
Molecular FormulaC22H25N3O5
Molecular Weight411.46 g/mol
Exact Mass411.18
IUPAC Name(1R,9S,10S,13S)-17-(cyclopropylmethyl)-4,10-dihydroxyspiro[17-azatetracyclo[7.5.3.01,10.02,7]heptadeca-2(7),3,5-triene-13,5'-imidazolidine]-2',4',8-trione
SMILESO=C1NC(=O)[C@@]2(CC[C@@]3(O)[C@H]4C(=O)c5ccc(O)cc5[C@@]3(CCN4CC3CC3)C2)N1
InChIInChI=1S/C22H25N3O5/c26-13-3-4-14-15(9-13)20-7-8-25(10-12-1-2-12)17(16(14)27)22(20,30)6-5-21(11-20)18(28)23-19(29)24-21/h3-4,9,12,17,26,30H,1-2,5-8,10-11H2,(H2,23,24,28,29)/t17-,20-,21+,22-/m1/s1
InChIKeyVOYKPOCRWUIIQT-HLRQEUIKSA-N
XLogP0.80
TPSA118.97 Ų
H-Bond Donors4
H-Bond Acceptors6
Rotatable Bonds2
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500411.46
LogP ≤ 50.80
H-Bond Donors ≤ 54
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'hydantoin', 'substructure': 'N/A'}

Analyze (1R,9S,10S,13S)-17-(cyclopropylmethyl)-4,10-dihydroxyspiro[17-azatetracyclo[7.5.3.01,10.02,7]heptadeca-2(7),3,5-triene-13,5'-imidazolidine]-2',4',8-trione 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

(1S,9R,10R,13S)-17-(cyclopropylmethyl)-4-hydroxyspiro[17-azatetracyclo[7.5.3.01,10.02,7]heptadeca-2(7),3,5-triene-13,5'-imidazolidine]-2',4'-dione
CID 74766539
(1R,9R,10S,13S)-17-(cyclopropylmethyl)-4,10-dihydroxy-1'-methylspiro[17-azatetracyclo[7.5.3.01,10.02,7]heptadeca-2(7),3,5-triene-13,5'-imidazolidine]-2',4'-dione
CID 90228159
(1R,9R,10S,13S)-17-(cyclopropylmethyl)-4,10-dihydroxyspiro[17-azatetracyclo[7.5.3.01,10.02,7]heptadeca-2(7),3,5-triene-13,4'-imidazolidine]-2'-one
CID 90228304
(1R,9R,10S,13S)-17-(cyclopropylmethyl)-4,10-dihydroxyspiro[17-azatetracyclo[7.5.3.01,10.02,7]heptadeca-2(7),3,5-triene-13,5'-imidazolidine]-2',4'-dione
CID 90228326
(1R,9R,10S,13S)-17-(cyclopropylmethyl)-1'-ethyl-4,10-dihydroxyspiro[17-azatetracyclo[7.5.3.01,10.02,7]heptadeca-2(7),3,5-triene-13,5'-imidazolidine]-2',4'-dione
CID 90228419
(6R,6aS,7aS,10aS,11aR)-14-(cyclopropylmethyl)-2,6a-dihydroxy-5,6,6a,7,7a,8,10a,11-octahydro-6,11a-(epiminoethano)naphtho[2,1-f]indol-9(10H)-one
CID 121389092
(1R,9R,10S,13S)-4,10-dihydroxy-17-methylspiro[17-azatetracyclo[7.5.3.01,10.02,7]heptadeca-2(7),3,5-triene-13,5'-imidazolidine]-2',4'-dione
CID 90228136
(1R,9R,10S,13S)-17-(cyclopropylmethyl)-10-hydroxy-4-methoxyspiro[17-azatetracyclo[7.5.3.01,10.02,7]heptadeca-2(7),3,5-triene-13,5'-imidazolidine]-2',4'-dione
CID 90228344
(1R,8R,9R,10S,13S)-17-(cyclopropylmethyl)-4,8,10-trihydroxyspiro[17-azatetracyclo[7.5.3.01,10.02,7]heptadeca-2(7),3,5-triene-13,5'-imidazolidine]-2',4'-dione
CID 118201341
(1R,9R,10S,13S)-10-hydroxy-4-methoxy-17-methylspiro[17-azatetracyclo[7.5.3.01,10.02,7]heptadeca-2(7),3,5-triene-13,5'-imidazolidine]-2',4'-dione
CID 90228065
(1R,9S,10S,13S)-17-(cyclopropylmethyl)-10-hydroxy-4-methoxyspiro[17-azatetracyclo[7.5.3.01,10.02,7]heptadeca-2(7),3,5-triene-13,5'-imidazolidine]-2',4',8-trione
CID 118201339
(1R,9R,10S,13S)-10-hydroxy-4-methoxy-17-(2,2,2-trifluoroethyl)spiro[17-azatetracyclo[7.5.3.01,10.02,7]heptadeca-2(7),3,5-triene-13,5'-imidazolidine]-2',4'-dione
CID 90228060

Frequently Asked Questions

What is the IUPAC name of (1R,9S,10S,13S)-17-(cyclopropylmethyl)-4,10-dihydroxyspiro[17-azatetracyclo[7.5.3.01,10.02,7]heptadeca-2(7),3,5-triene-13,5'-imidazolidine]-2',4',8-trione?
The IUPAC name of (1R,9S,10S,13S)-17-(cyclopropylmethyl)-4,10-dihydroxyspiro[17-azatetracyclo[7.5.3.01,10.02,7]heptadeca-2(7),3,5-triene-13,5'-imidazolidine]-2',4',8-trione (CID 91810846) is (1R,9S,10S,13S)-17-(cyclopropylmethyl)-4,10-dihydroxyspiro[17-azatetracyclo[7.5.3.01,10.02,7]heptadeca-2(7),3,5-triene-13,5'-imidazolidine]-2',4',8-trione.
What is the SMILES notation for (1R,9S,10S,13S)-17-(cyclopropylmethyl)-4,10-dihydroxyspiro[17-azatetracyclo[7.5.3.01,10.02,7]heptadeca-2(7),3,5-triene-13,5'-imidazolidine]-2',4',8-trione?
The canonical SMILES for (1R,9S,10S,13S)-17-(cyclopropylmethyl)-4,10-dihydroxyspiro[17-azatetracyclo[7.5.3.01,10.02,7]heptadeca-2(7),3,5-triene-13,5'-imidazolidine]-2',4',8-trione is O=C1NC(=O)[C@@]2(CC[C@@]3(O)[C@H]4C(=O)c5ccc(O)cc5[C@@]3(CCN4CC3CC3)C2)N1.
What is the InChIKey of (1R,9S,10S,13S)-17-(cyclopropylmethyl)-4,10-dihydroxyspiro[17-azatetracyclo[7.5.3.01,10.02,7]heptadeca-2(7),3,5-triene-13,5'-imidazolidine]-2',4',8-trione?
The InChIKey is VOYKPOCRWUIIQT-HLRQEUIKSA-N. The full InChI is InChI=1S/C22H25N3O5/c26-13-3-4-14-15(9-13)20-7-8-25(10-12-1-2-12)17(16(14)27)22(20,30)6-5-21(11-20)18(28)23-19(29)24-21/h3-4,9,12,17,26,30H,1-2,5-8,10-11H2,(H2,23,24,28,29)/t17-,20-,21+,22-/m1/s1.
What are the key properties of (1R,9S,10S,13S)-17-(cyclopropylmethyl)-4,10-dihydroxyspiro[17-azatetracyclo[7.5.3.01,10.02,7]heptadeca-2(7),3,5-triene-13,5'-imidazolidine]-2',4',8-trione?
(1R,9S,10S,13S)-17-(cyclopropylmethyl)-4,10-dihydroxyspiro[17-azatetracyclo[7.5.3.01,10.02,7]heptadeca-2(7),3,5-triene-13,5'-imidazolidine]-2',4',8-trione has a molecular weight of 411.46 g/mol, XLogP of 0.80, 2 rotatable bonds, 4 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for (1R,9S,10S,13S)-17-(cyclopropylmethyl)-4,10-dihydroxyspiro[17-azatetracyclo[7.5.3.01,10.02,7]heptadeca-2(7),3,5-triene-13,5'-imidazolidine]-2',4',8-trione is sourced from PubChem (CID 91810846), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).