(10R,14S)-14-[4-[3-chloro-6-(1,3-dimethylpyrazol-4-yl)-2-fluorophenyl]-6-oxo-2,3-dihydropyridin-1-yl]-10-methyl-8,16-diazatricyclo[13.3.1.02,7]nonadeca-1(19),2,4,6,15,17-hexaen-9-one

C34H33ClFN5O2 — CID 90060495

IUPAC(10R,14S)-14-[4-[3-chloro-6-(1,3-dimethylpyrazol-4-yl)-2-fluorophenyl]-6-oxo-2,3-dihydropyridin-1-yl]-10-methyl-8,16-diazatricyclo[13.3.1.02,7]nonadeca-1(19),2,4,6,15,17-hexaen-9-one
SMILESCc1nn(C)cc1-c1ccc(Cl)c(F)c1C1=CC(=O)N([C@H]2CCC[C@@H](C)C(=O)Nc3ccccc3-c3ccnc2c3)CC1
InChIInChI=1S/C34H33ClFN5O2/c1-20-7-6-10-30(29-17-22(13-15-37-29)24-8-4-5-9-28(24)38-34(20)43)41-16-14-23(18-31(41)42)32-25(11-12-27(35)33(32)36)26-19-40(3)39-21(26)2/h4-5,8-9,11-13,15,17-20,30H,6-7,10,14,16H2,1-3H3,(H,38,43)/t20-,30+/m1/s1
InChIKeyCMVGISXWABZZHF-KEEVHDRGSA-N
MW598.12 g/mol
LogP7.37
Rot. Bonds3

About (10R,14S)-14-[4-[3-chloro-6-(1,3-dimethylpyrazol-4-yl)-2-fluorophenyl]-6-oxo-2,3-dihydropyridin-1-yl]-10-methyl-8,16-diazatricyclo[13.3.1.02,7]nonadeca-1(19),2,4,6,15,17-hexaen-9-one

(10R,14S)-14-[4-[3-chloro-6-(1,3-dimethylpyrazol-4-yl)-2-fluorophenyl]-6-oxo-2,3-dihydropyridin-1-yl]-10-methyl-8,16-diazatricyclo[13.3.1.02,7]nonadeca-1(19),2,4,6,15,17-hexaen-9-one (PubChem CID 90060495) has the molecular formula C34H33ClFN5O2 and a molecular weight of 598.12 g/mol. Its IUPAC name is (10R,14S)-14-[4-[3-chloro-6-(1,3-dimethylpyrazol-4-yl)-2-fluorophenyl]-6-oxo-2,3-dihydropyridin-1-yl]-10-methyl-8,16-diazatricyclo[13.3.1.02,7]nonadeca-1(19),2,4,6,15,17-hexaen-9-one.

Molecular Properties

Compound Name(10R,14S)-14-[4-[3-chloro-6-(1,3-dimethylpyrazol-4-yl)-2-fluorophenyl]-6-oxo-2,3-dihydropyridin-1-yl]-10-methyl-8,16-diazatricyclo[13.3.1.02,7]nonadeca-1(19),2,4,6,15,17-hexaen-9-one
PubChem CID90060495
Molecular FormulaC34H33ClFN5O2
Molecular Weight598.12 g/mol
Exact Mass597.23
IUPAC Name(10R,14S)-14-[4-[3-chloro-6-(1,3-dimethylpyrazol-4-yl)-2-fluorophenyl]-6-oxo-2,3-dihydropyridin-1-yl]-10-methyl-8,16-diazatricyclo[13.3.1.02,7]nonadeca-1(19),2,4,6,15,17-hexaen-9-one
SMILESCc1nn(C)cc1-c1ccc(Cl)c(F)c1C1=CC(=O)N([C@H]2CCC[C@@H](C)C(=O)Nc3ccccc3-c3ccnc2c3)CC1
InChIInChI=1S/C34H33ClFN5O2/c1-20-7-6-10-30(29-17-22(13-15-37-29)24-8-4-5-9-28(24)38-34(20)43)41-16-14-23(18-31(41)42)32-25(11-12-27(35)33(32)36)26-19-40(3)39-21(26)2/h4-5,8-9,11-13,15,17-20,30H,6-7,10,14,16H2,1-3H3,(H,38,43)/t20-,30+/m1/s1
InChIKeyCMVGISXWABZZHF-KEEVHDRGSA-N
XLogP7.37
TPSA80.12 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms43
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500598.12
LogP ≤ 57.37
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Analyze (10R,14S)-14-[4-[3-chloro-6-(1,3-dimethylpyrazol-4-yl)-2-fluorophenyl]-6-oxo-2,3-dihydropyridin-1-yl]-10-methyl-8,16-diazatricyclo[13.3.1.02,7]nonadeca-1(19),2,4,6,15,17-hexaen-9-one with MolForge

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

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of (10R,14S)-14-[4-[3-chloro-6-(1,3-dimethylpyrazol-4-yl)-2-fluorophenyl]-6-oxo-2,3-dihydropyridin-1-yl]-10-methyl-8,16-diazatricyclo[13.3.1.02,7]nonadeca-1(19),2,4,6,15,17-hexaen-9-one?
The IUPAC name of (10R,14S)-14-[4-[3-chloro-6-(1,3-dimethylpyrazol-4-yl)-2-fluorophenyl]-6-oxo-2,3-dihydropyridin-1-yl]-10-methyl-8,16-diazatricyclo[13.3.1.02,7]nonadeca-1(19),2,4,6,15,17-hexaen-9-one (CID 90060495) is (10R,14S)-14-[4-[3-chloro-6-(1,3-dimethylpyrazol-4-yl)-2-fluorophenyl]-6-oxo-2,3-dihydropyridin-1-yl]-10-methyl-8,16-diazatricyclo[13.3.1.02,7]nonadeca-1(19),2,4,6,15,17-hexaen-9-one.
What is the SMILES notation for (10R,14S)-14-[4-[3-chloro-6-(1,3-dimethylpyrazol-4-yl)-2-fluorophenyl]-6-oxo-2,3-dihydropyridin-1-yl]-10-methyl-8,16-diazatricyclo[13.3.1.02,7]nonadeca-1(19),2,4,6,15,17-hexaen-9-one?
The canonical SMILES for (10R,14S)-14-[4-[3-chloro-6-(1,3-dimethylpyrazol-4-yl)-2-fluorophenyl]-6-oxo-2,3-dihydropyridin-1-yl]-10-methyl-8,16-diazatricyclo[13.3.1.02,7]nonadeca-1(19),2,4,6,15,17-hexaen-9-one is Cc1nn(C)cc1-c1ccc(Cl)c(F)c1C1=CC(=O)N([C@H]2CCC[C@@H](C)C(=O)Nc3ccccc3-c3ccnc2c3)CC1.
What is the InChIKey of (10R,14S)-14-[4-[3-chloro-6-(1,3-dimethylpyrazol-4-yl)-2-fluorophenyl]-6-oxo-2,3-dihydropyridin-1-yl]-10-methyl-8,16-diazatricyclo[13.3.1.02,7]nonadeca-1(19),2,4,6,15,17-hexaen-9-one?
The InChIKey is CMVGISXWABZZHF-KEEVHDRGSA-N. The full InChI is InChI=1S/C34H33ClFN5O2/c1-20-7-6-10-30(29-17-22(13-15-37-29)24-8-4-5-9-28(24)38-34(20)43)41-16-14-23(18-31(41)42)32-25(11-12-27(35)33(32)36)26-19-40(3)39-21(26)2/h4-5,8-9,11-13,15,17-20,30H,6-7,10,14,16H2,1-3H3,(H,38,43)/t20-,30+/m1/s1.
What are the key properties of (10R,14S)-14-[4-[3-chloro-6-(1,3-dimethylpyrazol-4-yl)-2-fluorophenyl]-6-oxo-2,3-dihydropyridin-1-yl]-10-methyl-8,16-diazatricyclo[13.3.1.02,7]nonadeca-1(19),2,4,6,15,17-hexaen-9-one?
(10R,14S)-14-[4-[3-chloro-6-(1,3-dimethylpyrazol-4-yl)-2-fluorophenyl]-6-oxo-2,3-dihydropyridin-1-yl]-10-methyl-8,16-diazatricyclo[13.3.1.02,7]nonadeca-1(19),2,4,6,15,17-hexaen-9-one has a molecular weight of 598.12 g/mol, XLogP of 7.37, 3 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for (10R,14S)-14-[4-[3-chloro-6-(1,3-dimethylpyrazol-4-yl)-2-fluorophenyl]-6-oxo-2,3-dihydropyridin-1-yl]-10-methyl-8,16-diazatricyclo[13.3.1.02,7]nonadeca-1(19),2,4,6,15,17-hexaen-9-one is sourced from PubChem (CID 90060495), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).