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

C22H28N4O2 — CID 175946702

IUPAC1-[(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
SMILESCOc1cc2c(cc1-n1cnc(C(N)=O)c1)C[C@H]1C3CCCC[C@@]23CCN1C
InChIInChI=1S/C22H28N4O2/c1-25-8-7-22-6-4-3-5-15(22)18(25)9-14-10-19(20(28-2)11-16(14)22)26-12-17(21(23)27)24-13-26/h10-13,15,18H,3-9H2,1-2H3,(H2,23,27)/t15?,18-,22-/m0/s1
InChIKeyUQRMPFHCAUXYFS-OYYWJBJPSA-N
MW380.49 g/mol
LogP2.67
Rot. Bonds3

About 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

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 (PubChem CID 175946702) has the molecular formula C22H28N4O2 and a molecular weight of 380.49 g/mol. Its IUPAC name is 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.

Molecular Properties

Compound Name1-[(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
PubChem CID175946702
Molecular FormulaC22H28N4O2
Molecular Weight380.49 g/mol
Exact Mass380.22
IUPAC Name1-[(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
SMILESCOc1cc2c(cc1-n1cnc(C(N)=O)c1)C[C@H]1C3CCCC[C@@]23CCN1C
InChIInChI=1S/C22H28N4O2/c1-25-8-7-22-6-4-3-5-15(22)18(25)9-14-10-19(20(28-2)11-16(14)22)26-12-17(21(23)27)24-13-26/h10-13,15,18H,3-9H2,1-2H3,(H2,23,27)/t15?,18-,22-/m0/s1
InChIKeyUQRMPFHCAUXYFS-OYYWJBJPSA-N
XLogP2.67
TPSA73.38 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500380.49
LogP ≤ 52.67
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Analyze 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 with MolForge

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Related Compounds

N-[(1R,9S)-4-methoxy-17-methyl-17-azatetracyclo[7.5.3.01,10.02,7]heptadeca-2,4,6-trien-5-yl]-1-methylimidazole-4-carboxamide
CID 176819352
(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
4-methoxy-17-methyl-5-(3-methylsulfonylazetidin-1-yl)-17-azatetracyclo[7.5.3.01,10.02,7]heptadeca-2,4,6-triene
CID 175946701
1-[(1S,9S)-4-methoxy-17-methyl-17-azatetracyclo[7.5.3.01,10.02,7]heptadeca-2,4,6-trien-5-yl]-N-methylpiperidine-3-carboxamide
CID 175946699
1-[(1S,9S)-4-methoxy-17-methyl-17-azatetracyclo[7.5.3.01,10.02,7]heptadeca-2,4,6-trien-5-yl]-N,N-dimethylpyrrolidin-3-amine
CID 175946703
1-[(1S)-4-methoxy-17-methyl-17-azatetracyclo[7.5.3.01,10.02,7]heptadeca-2,4,6-trien-5-yl]-1,3-dimethylurea
CID 169208823
1-[(1S,9S)-4-methoxy-17-methyl-17-azatetracyclo[7.5.3.01,10.02,7]heptadeca-2,4,6-trien-5-yl]-1,3-dimethylurea
CID 175946704
(1S,9S,10S)-N-ethyl-4-methoxy-17-methyl-17-azatetracyclo[7.5.3.01,10.02,7]heptadeca-2,4,6-trien-5-amine
CID 129195162
N-[(1S,9S)-4-methoxy-17-methyl-17-azatetracyclo[7.5.3.01,10.02,7]heptadeca-2,4,6-trien-5-yl]oxane-4-carboxamide
CID 169208808
(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
(1R,9R,10S)-N-(2-fluoroethyl)-4-methoxy-17-methyl-17-azatetracyclo[7.5.3.01,10.02,7]heptadeca-2,4,6-trien-5-amine
CID 137359795
4-methoxy-17-methyl-17-azatetracyclo[7.5.3.01,10.02,7]heptadeca-2(7),3,5-triene
CID 3008

Frequently Asked Questions

What is the IUPAC name of 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?
The IUPAC name of 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) is 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.
What is the SMILES notation for 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?
The canonical SMILES for 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 is COc1cc2c(cc1-n1cnc(C(N)=O)c1)C[C@H]1C3CCCC[C@@]23CCN1C.
What is the InChIKey of 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?
The InChIKey is UQRMPFHCAUXYFS-OYYWJBJPSA-N. The full InChI is InChI=1S/C22H28N4O2/c1-25-8-7-22-6-4-3-5-15(22)18(25)9-14-10-19(20(28-2)11-16(14)22)26-12-17(21(23)27)24-13-26/h10-13,15,18H,3-9H2,1-2H3,(H2,23,27)/t15?,18-,22-/m0/s1.
What are the key properties of 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?
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 has a molecular weight of 380.49 g/mol, XLogP of 2.67, 3 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 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 is sourced from PubChem (CID 175946702), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).