11-amino-8-(difluoromethyl)-12-(3-hydroxy-2,6-dimethylphenyl)-3-oxa-7,12-diazatricyclo[7.3.0.02,6]dodeca-1(9),2(6),4,7,10-pentaene-10-carboxamide

C19H16F2N4O3 — CID 178110890

IUPAC11-amino-8-(difluoromethyl)-12-(3-hydroxy-2,6-dimethylphenyl)-3-oxa-7,12-diazatricyclo[7.3.0.02,6]dodeca-1(9),2(6),4,7,10-pentaene-10-carboxamide
SMILESCc1ccc(O)c(C)c1-n1c(N)c(C(N)=O)c2c(C(F)F)nc3ccoc3c21
InChIInChI=1S/C19H16F2N4O3/c1-7-3-4-10(26)8(2)14(7)25-15-11(12(18(25)22)19(23)27)13(17(20)21)24-9-5-6-28-16(9)15/h3-6,17,26H,22H2,1-2H3,(H2,23,27)
InChIKeyFLPKIWNGFTVNDW-UHFFFAOYSA-N
MW386.36 g/mol
LogP3.71
Rot. Bonds3

About 11-amino-8-(difluoromethyl)-12-(3-hydroxy-2,6-dimethylphenyl)-3-oxa-7,12-diazatricyclo[7.3.0.02,6]dodeca-1(9),2(6),4,7,10-pentaene-10-carboxamide

11-amino-8-(difluoromethyl)-12-(3-hydroxy-2,6-dimethylphenyl)-3-oxa-7,12-diazatricyclo[7.3.0.02,6]dodeca-1(9),2(6),4,7,10-pentaene-10-carboxamide (PubChem CID 178110890) has the molecular formula C19H16F2N4O3 and a molecular weight of 386.36 g/mol. Its IUPAC name is 11-amino-8-(difluoromethyl)-12-(3-hydroxy-2,6-dimethylphenyl)-3-oxa-7,12-diazatricyclo[7.3.0.02,6]dodeca-1(9),2(6),4,7,10-pentaene-10-carboxamide.

Molecular Properties

Compound Name11-amino-8-(difluoromethyl)-12-(3-hydroxy-2,6-dimethylphenyl)-3-oxa-7,12-diazatricyclo[7.3.0.02,6]dodeca-1(9),2(6),4,7,10-pentaene-10-carboxamide
PubChem CID178110890
Molecular FormulaC19H16F2N4O3
Molecular Weight386.36 g/mol
Exact Mass386.12
IUPAC Name11-amino-8-(difluoromethyl)-12-(3-hydroxy-2,6-dimethylphenyl)-3-oxa-7,12-diazatricyclo[7.3.0.02,6]dodeca-1(9),2(6),4,7,10-pentaene-10-carboxamide
SMILESCc1ccc(O)c(C)c1-n1c(N)c(C(N)=O)c2c(C(F)F)nc3ccoc3c21
InChIInChI=1S/C19H16F2N4O3/c1-7-3-4-10(26)8(2)14(7)25-15-11(12(18(25)22)19(23)27)13(17(20)21)24-9-5-6-28-16(9)15/h3-6,17,26H,22H2,1-2H3,(H2,23,27)
InChIKeyFLPKIWNGFTVNDW-UHFFFAOYSA-N
XLogP3.71
TPSA120.30 Ų
H-Bond Donors3
H-Bond Acceptors6
Rotatable Bonds3
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500386.36
LogP ≤ 53.71
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 106

Analyze 11-amino-8-(difluoromethyl)-12-(3-hydroxy-2,6-dimethylphenyl)-3-oxa-7,12-diazatricyclo[7.3.0.02,6]dodeca-1(9),2(6),4,7,10-pentaene-10-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 11-amino-8-(difluoromethyl)-12-(3-hydroxy-2,6-dimethylphenyl)-3-oxa-7,12-diazatricyclo[7.3.0.02,6]dodeca-1(9),2(6),4,7,10-pentaene-10-carboxamide?
The IUPAC name of 11-amino-8-(difluoromethyl)-12-(3-hydroxy-2,6-dimethylphenyl)-3-oxa-7,12-diazatricyclo[7.3.0.02,6]dodeca-1(9),2(6),4,7,10-pentaene-10-carboxamide (CID 178110890) is 11-amino-8-(difluoromethyl)-12-(3-hydroxy-2,6-dimethylphenyl)-3-oxa-7,12-diazatricyclo[7.3.0.02,6]dodeca-1(9),2(6),4,7,10-pentaene-10-carboxamide.
What is the SMILES notation for 11-amino-8-(difluoromethyl)-12-(3-hydroxy-2,6-dimethylphenyl)-3-oxa-7,12-diazatricyclo[7.3.0.02,6]dodeca-1(9),2(6),4,7,10-pentaene-10-carboxamide?
The canonical SMILES for 11-amino-8-(difluoromethyl)-12-(3-hydroxy-2,6-dimethylphenyl)-3-oxa-7,12-diazatricyclo[7.3.0.02,6]dodeca-1(9),2(6),4,7,10-pentaene-10-carboxamide is Cc1ccc(O)c(C)c1-n1c(N)c(C(N)=O)c2c(C(F)F)nc3ccoc3c21.
What is the InChIKey of 11-amino-8-(difluoromethyl)-12-(3-hydroxy-2,6-dimethylphenyl)-3-oxa-7,12-diazatricyclo[7.3.0.02,6]dodeca-1(9),2(6),4,7,10-pentaene-10-carboxamide?
The InChIKey is FLPKIWNGFTVNDW-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H16F2N4O3/c1-7-3-4-10(26)8(2)14(7)25-15-11(12(18(25)22)19(23)27)13(17(20)21)24-9-5-6-28-16(9)15/h3-6,17,26H,22H2,1-2H3,(H2,23,27).
What are the key properties of 11-amino-8-(difluoromethyl)-12-(3-hydroxy-2,6-dimethylphenyl)-3-oxa-7,12-diazatricyclo[7.3.0.02,6]dodeca-1(9),2(6),4,7,10-pentaene-10-carboxamide?
11-amino-8-(difluoromethyl)-12-(3-hydroxy-2,6-dimethylphenyl)-3-oxa-7,12-diazatricyclo[7.3.0.02,6]dodeca-1(9),2(6),4,7,10-pentaene-10-carboxamide has a molecular weight of 386.36 g/mol, XLogP of 3.71, 3 rotatable bonds, 3 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 11-amino-8-(difluoromethyl)-12-(3-hydroxy-2,6-dimethylphenyl)-3-oxa-7,12-diazatricyclo[7.3.0.02,6]dodeca-1(9),2(6),4,7,10-pentaene-10-carboxamide is sourced from PubChem (CID 178110890), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).