methyl N-[14-[[1-(3-chloro-2-fluorophenyl)-5-methylimidazole-4-carbonyl]amino]-17-methoxy-10-methyl-9-oxo-8,16-diazatricyclo[13.3.1.02,7]nonadeca-1(19),2(7),3,5,15,17-hexaen-5-yl]carbamate

C32H32ClFN6O5 — CID 123287921

IUPACmethyl N-[14-[[1-(3-chloro-2-fluorophenyl)-5-methylimidazole-4-carbonyl]amino]-17-methoxy-10-methyl-9-oxo-8,16-diazatricyclo[13.3.1.02,7]nonadeca-1(19),2(7),3,5,15,17-hexaen-5-yl]carbamate
SMILESCOC(=O)Nc1ccc2c(c1)NC(=O)C(C)CCCC(NC(=O)c1ncn(-c3cccc(Cl)c3F)c1C)c1cc-2cc(OC)n1
InChIInChI=1S/C32H32ClFN6O5/c1-17-7-5-9-23(38-31(42)29-18(2)40(16-35-29)26-10-6-8-22(33)28(26)34)25-13-19(14-27(37-25)44-3)21-12-11-20(36-32(43)45-4)15-24(21)39-30(17)41/h6,8,10-17,23H,5,7,9H2,1-4H3,(H,36,43)(H,38,42)(H,39,41)
InChIKeyCZDBUWJSUZBWQS-UHFFFAOYSA-N
MW635.10 g/mol
LogP6.45
Rot. Bonds5

About methyl N-[14-[[1-(3-chloro-2-fluorophenyl)-5-methylimidazole-4-carbonyl]amino]-17-methoxy-10-methyl-9-oxo-8,16-diazatricyclo[13.3.1.02,7]nonadeca-1(19),2(7),3,5,15,17-hexaen-5-yl]carbamate

methyl N-[14-[[1-(3-chloro-2-fluorophenyl)-5-methylimidazole-4-carbonyl]amino]-17-methoxy-10-methyl-9-oxo-8,16-diazatricyclo[13.3.1.02,7]nonadeca-1(19),2(7),3,5,15,17-hexaen-5-yl]carbamate (PubChem CID 123287921) has the molecular formula C32H32ClFN6O5 and a molecular weight of 635.10 g/mol. Its IUPAC name is methyl N-[14-[[1-(3-chloro-2-fluorophenyl)-5-methylimidazole-4-carbonyl]amino]-17-methoxy-10-methyl-9-oxo-8,16-diazatricyclo[13.3.1.02,7]nonadeca-1(19),2(7),3,5,15,17-hexaen-5-yl]carbamate.

Molecular Properties

Compound Namemethyl N-[14-[[1-(3-chloro-2-fluorophenyl)-5-methylimidazole-4-carbonyl]amino]-17-methoxy-10-methyl-9-oxo-8,16-diazatricyclo[13.3.1.02,7]nonadeca-1(19),2(7),3,5,15,17-hexaen-5-yl]carbamate
PubChem CID123287921
Molecular FormulaC32H32ClFN6O5
Molecular Weight635.10 g/mol
Exact Mass634.21
IUPAC Namemethyl N-[14-[[1-(3-chloro-2-fluorophenyl)-5-methylimidazole-4-carbonyl]amino]-17-methoxy-10-methyl-9-oxo-8,16-diazatricyclo[13.3.1.02,7]nonadeca-1(19),2(7),3,5,15,17-hexaen-5-yl]carbamate
SMILESCOC(=O)Nc1ccc2c(c1)NC(=O)C(C)CCCC(NC(=O)c1ncn(-c3cccc(Cl)c3F)c1C)c1cc-2cc(OC)n1
InChIInChI=1S/C32H32ClFN6O5/c1-17-7-5-9-23(38-31(42)29-18(2)40(16-35-29)26-10-6-8-22(33)28(26)34)25-13-19(14-27(37-25)44-3)21-12-11-20(36-32(43)45-4)15-24(21)39-30(17)41/h6,8,10-17,23H,5,7,9H2,1-4H3,(H,36,43)(H,38,42)(H,39,41)
InChIKeyCZDBUWJSUZBWQS-UHFFFAOYSA-N
XLogP6.45
TPSA136.47 Ų
H-Bond Donors3
H-Bond Acceptors8
Rotatable Bonds5
Heavy Atoms45
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500635.10
LogP ≤ 56.45
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 108

Analyze methyl N-[14-[[1-(3-chloro-2-fluorophenyl)-5-methylimidazole-4-carbonyl]amino]-17-methoxy-10-methyl-9-oxo-8,16-diazatricyclo[13.3.1.02,7]nonadeca-1(19),2(7),3,5,15,17-hexaen-5-yl]carbamate with MolForge

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Frequently Asked Questions

What is the IUPAC name of methyl N-[14-[[1-(3-chloro-2-fluorophenyl)-5-methylimidazole-4-carbonyl]amino]-17-methoxy-10-methyl-9-oxo-8,16-diazatricyclo[13.3.1.02,7]nonadeca-1(19),2(7),3,5,15,17-hexaen-5-yl]carbamate?
The IUPAC name of methyl N-[14-[[1-(3-chloro-2-fluorophenyl)-5-methylimidazole-4-carbonyl]amino]-17-methoxy-10-methyl-9-oxo-8,16-diazatricyclo[13.3.1.02,7]nonadeca-1(19),2(7),3,5,15,17-hexaen-5-yl]carbamate (CID 123287921) is methyl N-[14-[[1-(3-chloro-2-fluorophenyl)-5-methylimidazole-4-carbonyl]amino]-17-methoxy-10-methyl-9-oxo-8,16-diazatricyclo[13.3.1.02,7]nonadeca-1(19),2(7),3,5,15,17-hexaen-5-yl]carbamate.
What is the SMILES notation for methyl N-[14-[[1-(3-chloro-2-fluorophenyl)-5-methylimidazole-4-carbonyl]amino]-17-methoxy-10-methyl-9-oxo-8,16-diazatricyclo[13.3.1.02,7]nonadeca-1(19),2(7),3,5,15,17-hexaen-5-yl]carbamate?
The canonical SMILES for methyl N-[14-[[1-(3-chloro-2-fluorophenyl)-5-methylimidazole-4-carbonyl]amino]-17-methoxy-10-methyl-9-oxo-8,16-diazatricyclo[13.3.1.02,7]nonadeca-1(19),2(7),3,5,15,17-hexaen-5-yl]carbamate is COC(=O)Nc1ccc2c(c1)NC(=O)C(C)CCCC(NC(=O)c1ncn(-c3cccc(Cl)c3F)c1C)c1cc-2cc(OC)n1.
What is the InChIKey of methyl N-[14-[[1-(3-chloro-2-fluorophenyl)-5-methylimidazole-4-carbonyl]amino]-17-methoxy-10-methyl-9-oxo-8,16-diazatricyclo[13.3.1.02,7]nonadeca-1(19),2(7),3,5,15,17-hexaen-5-yl]carbamate?
The InChIKey is CZDBUWJSUZBWQS-UHFFFAOYSA-N. The full InChI is InChI=1S/C32H32ClFN6O5/c1-17-7-5-9-23(38-31(42)29-18(2)40(16-35-29)26-10-6-8-22(33)28(26)34)25-13-19(14-27(37-25)44-3)21-12-11-20(36-32(43)45-4)15-24(21)39-30(17)41/h6,8,10-17,23H,5,7,9H2,1-4H3,(H,36,43)(H,38,42)(H,39,41).
What are the key properties of methyl N-[14-[[1-(3-chloro-2-fluorophenyl)-5-methylimidazole-4-carbonyl]amino]-17-methoxy-10-methyl-9-oxo-8,16-diazatricyclo[13.3.1.02,7]nonadeca-1(19),2(7),3,5,15,17-hexaen-5-yl]carbamate?
methyl N-[14-[[1-(3-chloro-2-fluorophenyl)-5-methylimidazole-4-carbonyl]amino]-17-methoxy-10-methyl-9-oxo-8,16-diazatricyclo[13.3.1.02,7]nonadeca-1(19),2(7),3,5,15,17-hexaen-5-yl]carbamate has a molecular weight of 635.10 g/mol, XLogP of 6.45, 5 rotatable bonds, 3 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for methyl N-[14-[[1-(3-chloro-2-fluorophenyl)-5-methylimidazole-4-carbonyl]amino]-17-methoxy-10-methyl-9-oxo-8,16-diazatricyclo[13.3.1.02,7]nonadeca-1(19),2(7),3,5,15,17-hexaen-5-yl]carbamate is sourced from PubChem (CID 123287921), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).