methyl N-[(10R,14S)-14-[[5-amino-1-(3-chlorophenyl)pyrazole-4-carbonyl]amino]-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

C30H30ClN7O4 — CID 71509198

IUPACmethyl N-[(10R,14S)-14-[[5-amino-1-(3-chlorophenyl)pyrazole-4-carbonyl]amino]-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@H](C)CCC[C@H](NC(=O)c1cnn(-c3cccc(Cl)c3)c1N)c1cc-2ccn1
InChIInChI=1S/C30H30ClN7O4/c1-17-5-3-8-24(36-29(40)23-16-34-38(27(23)32)21-7-4-6-19(31)14-21)26-13-18(11-12-33-26)22-10-9-20(35-30(41)42-2)15-25(22)37-28(17)39/h4,6-7,9-17,24H,3,5,8,32H2,1-2H3,(H,35,41)(H,36,40)(H,37,39)/t17-,24+/m1/s1
InChIKeyKZFCKIPDPYGHDD-OSPHWJPCSA-N
MW588.07 g/mol
LogP5.58
Rot. Bonds4

About methyl N-[(10R,14S)-14-[[5-amino-1-(3-chlorophenyl)pyrazole-4-carbonyl]amino]-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-[(10R,14S)-14-[[5-amino-1-(3-chlorophenyl)pyrazole-4-carbonyl]amino]-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 71509198) has the molecular formula C30H30ClN7O4 and a molecular weight of 588.07 g/mol. Its IUPAC name is methyl N-[(10R,14S)-14-[[5-amino-1-(3-chlorophenyl)pyrazole-4-carbonyl]amino]-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-[(10R,14S)-14-[[5-amino-1-(3-chlorophenyl)pyrazole-4-carbonyl]amino]-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 CID71509198
Molecular FormulaC30H30ClN7O4
Molecular Weight588.07 g/mol
Exact Mass587.20
IUPAC Namemethyl N-[(10R,14S)-14-[[5-amino-1-(3-chlorophenyl)pyrazole-4-carbonyl]amino]-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@H](C)CCC[C@H](NC(=O)c1cnn(-c3cccc(Cl)c3)c1N)c1cc-2ccn1
InChIInChI=1S/C30H30ClN7O4/c1-17-5-3-8-24(36-29(40)23-16-34-38(27(23)32)21-7-4-6-19(31)14-21)26-13-18(11-12-33-26)22-10-9-20(35-30(41)42-2)15-25(22)37-28(17)39/h4,6-7,9-17,24H,3,5,8,32H2,1-2H3,(H,35,41)(H,36,40)(H,37,39)/t17-,24+/m1/s1
InChIKeyKZFCKIPDPYGHDD-OSPHWJPCSA-N
XLogP5.58
TPSA153.26 Ų
H-Bond Donors4
H-Bond Acceptors8
Rotatable Bonds4
Heavy Atoms42
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500588.07
LogP ≤ 55.58
H-Bond Donors ≤ 54
H-Bond Acceptors ≤ 108

Analyze methyl N-[(10R,14S)-14-[[5-amino-1-(3-chlorophenyl)pyrazole-4-carbonyl]amino]-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

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

CID 155514138
CID 155514138
CID 155517265
CID 155517265
CID 66744670
CID 66744670
CID 71509332
CID 71509332
CID 139208763
CID 139208763
CID 16022142
CID 16022142
CID 71509195
CID 71509195
CID 155512262
CID 155512262
CID 155517793
CID 155517793
CID 155535014
CID 155535014
CID 155547007
CID 155547007
CID 53357237
CID 53357237

Frequently Asked Questions

What is the IUPAC name of methyl N-[(10R,14S)-14-[[5-amino-1-(3-chlorophenyl)pyrazole-4-carbonyl]amino]-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-[(10R,14S)-14-[[5-amino-1-(3-chlorophenyl)pyrazole-4-carbonyl]amino]-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 71509198) is methyl N-[(10R,14S)-14-[[5-amino-1-(3-chlorophenyl)pyrazole-4-carbonyl]amino]-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-[(10R,14S)-14-[[5-amino-1-(3-chlorophenyl)pyrazole-4-carbonyl]amino]-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-[(10R,14S)-14-[[5-amino-1-(3-chlorophenyl)pyrazole-4-carbonyl]amino]-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@H](C)CCC[C@H](NC(=O)c1cnn(-c3cccc(Cl)c3)c1N)c1cc-2ccn1.
What is the InChIKey of methyl N-[(10R,14S)-14-[[5-amino-1-(3-chlorophenyl)pyrazole-4-carbonyl]amino]-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 KZFCKIPDPYGHDD-OSPHWJPCSA-N. The full InChI is InChI=1S/C30H30ClN7O4/c1-17-5-3-8-24(36-29(40)23-16-34-38(27(23)32)21-7-4-6-19(31)14-21)26-13-18(11-12-33-26)22-10-9-20(35-30(41)42-2)15-25(22)37-28(17)39/h4,6-7,9-17,24H,3,5,8,32H2,1-2H3,(H,35,41)(H,36,40)(H,37,39)/t17-,24+/m1/s1.
What are the key properties of methyl N-[(10R,14S)-14-[[5-amino-1-(3-chlorophenyl)pyrazole-4-carbonyl]amino]-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-[(10R,14S)-14-[[5-amino-1-(3-chlorophenyl)pyrazole-4-carbonyl]amino]-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 588.07 g/mol, XLogP of 5.58, 4 rotatable bonds, 4 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for methyl N-[(10R,14S)-14-[[5-amino-1-(3-chlorophenyl)pyrazole-4-carbonyl]amino]-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 71509198), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).