(1R,9S,10R)-5-imidazol-1-yl-17-methyl-17-azatetracyclo[7.5.3.01,10.02,7]heptadeca-2,4,6-trien-4-ol

C20H25N3O — CID 137359813

IUPAC(1R,9S,10R)-5-imidazol-1-yl-17-methyl-17-azatetracyclo[7.5.3.01,10.02,7]heptadeca-2,4,6-trien-4-ol
SMILESCN1CC[C@]23CCCC[C@H]2[C@@H]1Cc1cc(-n2ccnc2)c(O)cc13
InChIInChI=1S/C20H25N3O/c1-22-8-6-20-5-3-2-4-15(20)17(22)10-14-11-18(19(24)12-16(14)20)23-9-7-21-13-23/h7,9,11-13,15,17,24H,2-6,8,10H2,1H3/t15-,17-,20+/m0/s1
InChIKeyHVOYYHHTHWUXDW-RIFZZMRRSA-N
MW323.44 g/mol
LogP3.27
Rot. Bonds1

About (1R,9S,10R)-5-imidazol-1-yl-17-methyl-17-azatetracyclo[7.5.3.01,10.02,7]heptadeca-2,4,6-trien-4-ol

(1R,9S,10R)-5-imidazol-1-yl-17-methyl-17-azatetracyclo[7.5.3.01,10.02,7]heptadeca-2,4,6-trien-4-ol (PubChem CID 137359813) has the molecular formula C20H25N3O and a molecular weight of 323.44 g/mol. Its IUPAC name is (1R,9S,10R)-5-imidazol-1-yl-17-methyl-17-azatetracyclo[7.5.3.01,10.02,7]heptadeca-2,4,6-trien-4-ol.

Molecular Properties

Compound Name(1R,9S,10R)-5-imidazol-1-yl-17-methyl-17-azatetracyclo[7.5.3.01,10.02,7]heptadeca-2,4,6-trien-4-ol
PubChem CID137359813
Molecular FormulaC20H25N3O
Molecular Weight323.44 g/mol
Exact Mass323.20
IUPAC Name(1R,9S,10R)-5-imidazol-1-yl-17-methyl-17-azatetracyclo[7.5.3.01,10.02,7]heptadeca-2,4,6-trien-4-ol
SMILESCN1CC[C@]23CCCC[C@H]2[C@@H]1Cc1cc(-n2ccnc2)c(O)cc13
InChIInChI=1S/C20H25N3O/c1-22-8-6-20-5-3-2-4-15(20)17(22)10-14-11-18(19(24)12-16(14)20)23-9-7-21-13-23/h7,9,11-13,15,17,24H,2-6,8,10H2,1H3/t15-,17-,20+/m0/s1
InChIKeyHVOYYHHTHWUXDW-RIFZZMRRSA-N
XLogP3.27
TPSA41.29 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds1
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500323.44
LogP ≤ 53.27
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Analyze (1R,9S,10R)-5-imidazol-1-yl-17-methyl-17-azatetracyclo[7.5.3.01,10.02,7]heptadeca-2,4,6-trien-4-ol with MolForge

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Related Compounds

(1S,9S,10S)-5-imidazol-1-yl-4,17-dimethyl-17-azatetracyclo[7.5.3.01,10.02,7]heptadeca-2(7),3,5-triene;(1S,9S,10S)-5-imidazol-1-yl-4-methoxy-17-methyl-17-azatetracyclo[7.5.3.01,10.02,7]heptadeca-2,4,6-triene
CID 161476389
(1S,9S,10R)-17-methyl-17-azatetracyclo[7.5.3.01,10.02,7]heptadeca-2(7),3,5-trien-4-ol
CID 5390113
(1R,9S,10R)-17-methyl-5-prop-2-enyl-17-azatetracyclo[7.5.3.01,10.02,7]heptadeca-2,4,6-trien-4-ol
CID 3034991
(1R,9R,10S)-4,17-dimethyl-5-pyrrolidin-1-yl-17-azatetracyclo[7.5.3.01,10.02,7]heptadeca-2(7),3,5-triene
CID 137359929
(1S,9S,10S)-5-(2-fluoroethylamino)-17-methyl-17-azatetracyclo[7.5.3.01,10.02,7]heptadeca-2,4,6-trien-4-ol
CID 129195166
4,17-dimethyl-17-azatetracyclo[7.5.3.01,10.02,7]heptadeca-2(7),3,5-triene
CID 3079
(1R)-17-methyl-17-azatetracyclo[7.5.3.01,10.02,7]heptadeca-2(7),3,5-trien-4-amine
CID 23315065
(1S,9S,10S)-12-[1-[(1S,9S,10S)-4-hydroxy-17-methyl-17-azatetracyclo[7.5.3.01,10.02,7]heptadeca-2,4,6-trien-5-yl]pyrrolidin-3-yl]-5-iodo-17-methyl-17-azatetracyclo[7.5.3.01,10.02,7]heptadeca-2,4,6-trien-4-ol
CID 158275352
1-[(1S,9S)-4-methoxy-17-methyl-17-azatetracyclo[7.5.3.01,10.02,7]heptadeca-2,4,6-trien-5-yl]imidazole-4-carboxamide
CID 175946702
(1R,9R,10S)-4,17-dimethyl-17-azatetracyclo[7.5.3.01,10.02,7]heptadeca-2(7),3,5-trien-5-amine
CID 137359800
[(1S,9S)-17-methyl-17-azatetracyclo[7.5.3.01,10.02,7]heptadeca-2(7),3,5-trien-4-yl]methanol
CID 68916875
1-[(1R,9R,10R)-17-methyl-17-azatetracyclo[7.5.3.01,10.02,7]heptadeca-2(7),3,5-trien-4-yl]ethanol;hydrochloride
CID 22822661

Frequently Asked Questions

What is the IUPAC name of (1R,9S,10R)-5-imidazol-1-yl-17-methyl-17-azatetracyclo[7.5.3.01,10.02,7]heptadeca-2,4,6-trien-4-ol?
The IUPAC name of (1R,9S,10R)-5-imidazol-1-yl-17-methyl-17-azatetracyclo[7.5.3.01,10.02,7]heptadeca-2,4,6-trien-4-ol (CID 137359813) is (1R,9S,10R)-5-imidazol-1-yl-17-methyl-17-azatetracyclo[7.5.3.01,10.02,7]heptadeca-2,4,6-trien-4-ol.
What is the SMILES notation for (1R,9S,10R)-5-imidazol-1-yl-17-methyl-17-azatetracyclo[7.5.3.01,10.02,7]heptadeca-2,4,6-trien-4-ol?
The canonical SMILES for (1R,9S,10R)-5-imidazol-1-yl-17-methyl-17-azatetracyclo[7.5.3.01,10.02,7]heptadeca-2,4,6-trien-4-ol is CN1CC[C@]23CCCC[C@H]2[C@@H]1Cc1cc(-n2ccnc2)c(O)cc13.
What is the InChIKey of (1R,9S,10R)-5-imidazol-1-yl-17-methyl-17-azatetracyclo[7.5.3.01,10.02,7]heptadeca-2,4,6-trien-4-ol?
The InChIKey is HVOYYHHTHWUXDW-RIFZZMRRSA-N. The full InChI is InChI=1S/C20H25N3O/c1-22-8-6-20-5-3-2-4-15(20)17(22)10-14-11-18(19(24)12-16(14)20)23-9-7-21-13-23/h7,9,11-13,15,17,24H,2-6,8,10H2,1H3/t15-,17-,20+/m0/s1.
What are the key properties of (1R,9S,10R)-5-imidazol-1-yl-17-methyl-17-azatetracyclo[7.5.3.01,10.02,7]heptadeca-2,4,6-trien-4-ol?
(1R,9S,10R)-5-imidazol-1-yl-17-methyl-17-azatetracyclo[7.5.3.01,10.02,7]heptadeca-2,4,6-trien-4-ol has a molecular weight of 323.44 g/mol, XLogP of 3.27, 1 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (1R,9S,10R)-5-imidazol-1-yl-17-methyl-17-azatetracyclo[7.5.3.01,10.02,7]heptadeca-2,4,6-trien-4-ol is sourced from PubChem (CID 137359813), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).