(10R,14S)-14-[[1-(3-chloro-2-fluorophenyl)-5-methylpyrazole-4-carbonyl]amino]-10-methyl-9-oxo-8,16-diazatricyclo[13.3.1.02,7]nonadeca-1(19),2(7),3,5,15,17-hexaene-5-carboxamide

C30H28ClFN6O3 — CID 71263003

IUPAC(10R,14S)-14-[[1-(3-chloro-2-fluorophenyl)-5-methylpyrazole-4-carbonyl]amino]-10-methyl-9-oxo-8,16-diazatricyclo[13.3.1.02,7]nonadeca-1(19),2(7),3,5,15,17-hexaene-5-carboxamide
SMILESCc1c(C(=O)N[C@H]2CCC[C@@H](C)C(=O)Nc3cc(C(N)=O)ccc3-c3ccnc2c3)cnn1-c1cccc(Cl)c1F
InChIInChI=1S/C30H28ClFN6O3/c1-16-5-3-7-23(36-30(41)21-15-35-38(17(21)2)26-8-4-6-22(31)27(26)32)25-13-18(11-12-34-25)20-10-9-19(28(33)39)14-24(20)37-29(16)40/h4,6,8-16,23H,3,5,7H2,1-2H3,(H2,33,39)(H,36,41)(H,37,40)/t16-,23+/m1/s1
InChIKeyMHBZFBHWTDFNGI-MWTRTKDXSA-N
MW575.04 g/mol
LogP5.36
Rot. Bonds4

About (10R,14S)-14-[[1-(3-chloro-2-fluorophenyl)-5-methylpyrazole-4-carbonyl]amino]-10-methyl-9-oxo-8,16-diazatricyclo[13.3.1.02,7]nonadeca-1(19),2(7),3,5,15,17-hexaene-5-carboxamide

(10R,14S)-14-[[1-(3-chloro-2-fluorophenyl)-5-methylpyrazole-4-carbonyl]amino]-10-methyl-9-oxo-8,16-diazatricyclo[13.3.1.02,7]nonadeca-1(19),2(7),3,5,15,17-hexaene-5-carboxamide (PubChem CID 71263003) has the molecular formula C30H28ClFN6O3 and a molecular weight of 575.04 g/mol. Its IUPAC name is (10R,14S)-14-[[1-(3-chloro-2-fluorophenyl)-5-methylpyrazole-4-carbonyl]amino]-10-methyl-9-oxo-8,16-diazatricyclo[13.3.1.02,7]nonadeca-1(19),2(7),3,5,15,17-hexaene-5-carboxamide.

Molecular Properties

Compound Name(10R,14S)-14-[[1-(3-chloro-2-fluorophenyl)-5-methylpyrazole-4-carbonyl]amino]-10-methyl-9-oxo-8,16-diazatricyclo[13.3.1.02,7]nonadeca-1(19),2(7),3,5,15,17-hexaene-5-carboxamide
PubChem CID71263003
Molecular FormulaC30H28ClFN6O3
Molecular Weight575.04 g/mol
Exact Mass574.19
IUPAC Name(10R,14S)-14-[[1-(3-chloro-2-fluorophenyl)-5-methylpyrazole-4-carbonyl]amino]-10-methyl-9-oxo-8,16-diazatricyclo[13.3.1.02,7]nonadeca-1(19),2(7),3,5,15,17-hexaene-5-carboxamide
SMILESCc1c(C(=O)N[C@H]2CCC[C@@H](C)C(=O)Nc3cc(C(N)=O)ccc3-c3ccnc2c3)cnn1-c1cccc(Cl)c1F
InChIInChI=1S/C30H28ClFN6O3/c1-16-5-3-7-23(36-30(41)21-15-35-38(17(21)2)26-8-4-6-22(31)27(26)32)25-13-18(11-12-34-25)20-10-9-19(28(33)39)14-24(20)37-29(16)40/h4,6,8-16,23H,3,5,7H2,1-2H3,(H2,33,39)(H,36,41)(H,37,40)/t16-,23+/m1/s1
InChIKeyMHBZFBHWTDFNGI-MWTRTKDXSA-N
XLogP5.36
TPSA132.00 Ų
H-Bond Donors3
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms41
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500575.04
LogP ≤ 55.36
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 106

Analyze (10R,14S)-14-[[1-(3-chloro-2-fluorophenyl)-5-methylpyrazole-4-carbonyl]amino]-10-methyl-9-oxo-8,16-diazatricyclo[13.3.1.02,7]nonadeca-1(19),2(7),3,5,15,17-hexaene-5-carboxamide 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-[[1-(3-chloro-2-fluorophenyl)-5-methylpyrazole-4-carbonyl]amino]-10-methyl-9-oxo-8,16-diazatricyclo[13.3.1.02,7]nonadeca-1(19),2(7),3,5,15,17-hexaene-5-carboxamide?
The IUPAC name of (10R,14S)-14-[[1-(3-chloro-2-fluorophenyl)-5-methylpyrazole-4-carbonyl]amino]-10-methyl-9-oxo-8,16-diazatricyclo[13.3.1.02,7]nonadeca-1(19),2(7),3,5,15,17-hexaene-5-carboxamide (CID 71263003) is (10R,14S)-14-[[1-(3-chloro-2-fluorophenyl)-5-methylpyrazole-4-carbonyl]amino]-10-methyl-9-oxo-8,16-diazatricyclo[13.3.1.02,7]nonadeca-1(19),2(7),3,5,15,17-hexaene-5-carboxamide.
What is the SMILES notation for (10R,14S)-14-[[1-(3-chloro-2-fluorophenyl)-5-methylpyrazole-4-carbonyl]amino]-10-methyl-9-oxo-8,16-diazatricyclo[13.3.1.02,7]nonadeca-1(19),2(7),3,5,15,17-hexaene-5-carboxamide?
The canonical SMILES for (10R,14S)-14-[[1-(3-chloro-2-fluorophenyl)-5-methylpyrazole-4-carbonyl]amino]-10-methyl-9-oxo-8,16-diazatricyclo[13.3.1.02,7]nonadeca-1(19),2(7),3,5,15,17-hexaene-5-carboxamide is Cc1c(C(=O)N[C@H]2CCC[C@@H](C)C(=O)Nc3cc(C(N)=O)ccc3-c3ccnc2c3)cnn1-c1cccc(Cl)c1F.
What is the InChIKey of (10R,14S)-14-[[1-(3-chloro-2-fluorophenyl)-5-methylpyrazole-4-carbonyl]amino]-10-methyl-9-oxo-8,16-diazatricyclo[13.3.1.02,7]nonadeca-1(19),2(7),3,5,15,17-hexaene-5-carboxamide?
The InChIKey is MHBZFBHWTDFNGI-MWTRTKDXSA-N. The full InChI is InChI=1S/C30H28ClFN6O3/c1-16-5-3-7-23(36-30(41)21-15-35-38(17(21)2)26-8-4-6-22(31)27(26)32)25-13-18(11-12-34-25)20-10-9-19(28(33)39)14-24(20)37-29(16)40/h4,6,8-16,23H,3,5,7H2,1-2H3,(H2,33,39)(H,36,41)(H,37,40)/t16-,23+/m1/s1.
What are the key properties of (10R,14S)-14-[[1-(3-chloro-2-fluorophenyl)-5-methylpyrazole-4-carbonyl]amino]-10-methyl-9-oxo-8,16-diazatricyclo[13.3.1.02,7]nonadeca-1(19),2(7),3,5,15,17-hexaene-5-carboxamide?
(10R,14S)-14-[[1-(3-chloro-2-fluorophenyl)-5-methylpyrazole-4-carbonyl]amino]-10-methyl-9-oxo-8,16-diazatricyclo[13.3.1.02,7]nonadeca-1(19),2(7),3,5,15,17-hexaene-5-carboxamide has a molecular weight of 575.04 g/mol, XLogP of 5.36, 4 rotatable bonds, 3 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for (10R,14S)-14-[[1-(3-chloro-2-fluorophenyl)-5-methylpyrazole-4-carbonyl]amino]-10-methyl-9-oxo-8,16-diazatricyclo[13.3.1.02,7]nonadeca-1(19),2(7),3,5,15,17-hexaene-5-carboxamide is sourced from PubChem (CID 71263003), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).