N-(6-cyano-11,11-dimethyl-9-oxa-1,3-diazatricyclo[6.4.1.04,13]trideca-2,4(13),5,7-tetraen-2-yl)-1-ethyl-4-fluoro-3-methylpyrazole-5-carboxamide

C20H21FN6O2 — CID 163579234

IUPACN-(6-cyano-11,11-dimethyl-9-oxa-1,3-diazatricyclo[6.4.1.04,13]trideca-2,4(13),5,7-tetraen-2-yl)-1-ethyl-4-fluoro-3-methylpyrazole-5-carboxamide
SMILESCCn1nc(C)c(F)c1C(=O)Nc1nc2cc(C#N)cc3c2n1CC(C)(C)CO3
InChIInChI=1S/C20H21FN6O2/c1-5-27-17(15(21)11(2)25-27)18(28)24-19-23-13-6-12(8-22)7-14-16(13)26(19)9-20(3,4)10-29-14/h6-7H,5,9-10H2,1-4H3,(H,23,24,28)
InChIKeyGGCYQWYKUUXHPI-UHFFFAOYSA-N
MW396.43 g/mol
LogP3.24
Rot. Bonds3

About N-(6-cyano-11,11-dimethyl-9-oxa-1,3-diazatricyclo[6.4.1.04,13]trideca-2,4(13),5,7-tetraen-2-yl)-1-ethyl-4-fluoro-3-methylpyrazole-5-carboxamide

N-(6-cyano-11,11-dimethyl-9-oxa-1,3-diazatricyclo[6.4.1.04,13]trideca-2,4(13),5,7-tetraen-2-yl)-1-ethyl-4-fluoro-3-methylpyrazole-5-carboxamide (PubChem CID 163579234) has the molecular formula C20H21FN6O2 and a molecular weight of 396.43 g/mol. Its IUPAC name is N-(6-cyano-11,11-dimethyl-9-oxa-1,3-diazatricyclo[6.4.1.04,13]trideca-2,4(13),5,7-tetraen-2-yl)-1-ethyl-4-fluoro-3-methylpyrazole-5-carboxamide.

Molecular Properties

Compound NameN-(6-cyano-11,11-dimethyl-9-oxa-1,3-diazatricyclo[6.4.1.04,13]trideca-2,4(13),5,7-tetraen-2-yl)-1-ethyl-4-fluoro-3-methylpyrazole-5-carboxamide
PubChem CID163579234
Molecular FormulaC20H21FN6O2
Molecular Weight396.43 g/mol
Exact Mass396.17
IUPAC NameN-(6-cyano-11,11-dimethyl-9-oxa-1,3-diazatricyclo[6.4.1.04,13]trideca-2,4(13),5,7-tetraen-2-yl)-1-ethyl-4-fluoro-3-methylpyrazole-5-carboxamide
SMILESCCn1nc(C)c(F)c1C(=O)Nc1nc2cc(C#N)cc3c2n1CC(C)(C)CO3
InChIInChI=1S/C20H21FN6O2/c1-5-27-17(15(21)11(2)25-27)18(28)24-19-23-13-6-12(8-22)7-14-16(13)26(19)9-20(3,4)10-29-14/h6-7H,5,9-10H2,1-4H3,(H,23,24,28)
InChIKeyGGCYQWYKUUXHPI-UHFFFAOYSA-N
XLogP3.24
TPSA97.76 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds3
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500396.43
LogP ≤ 53.24
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

Analyze N-(6-cyano-11,11-dimethyl-9-oxa-1,3-diazatricyclo[6.4.1.04,13]trideca-2,4(13),5,7-tetraen-2-yl)-1-ethyl-4-fluoro-3-methylpyrazole-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 N-(6-cyano-11,11-dimethyl-9-oxa-1,3-diazatricyclo[6.4.1.04,13]trideca-2,4(13),5,7-tetraen-2-yl)-1-ethyl-4-fluoro-3-methylpyrazole-5-carboxamide?
The IUPAC name of N-(6-cyano-11,11-dimethyl-9-oxa-1,3-diazatricyclo[6.4.1.04,13]trideca-2,4(13),5,7-tetraen-2-yl)-1-ethyl-4-fluoro-3-methylpyrazole-5-carboxamide (CID 163579234) is N-(6-cyano-11,11-dimethyl-9-oxa-1,3-diazatricyclo[6.4.1.04,13]trideca-2,4(13),5,7-tetraen-2-yl)-1-ethyl-4-fluoro-3-methylpyrazole-5-carboxamide.
What is the SMILES notation for N-(6-cyano-11,11-dimethyl-9-oxa-1,3-diazatricyclo[6.4.1.04,13]trideca-2,4(13),5,7-tetraen-2-yl)-1-ethyl-4-fluoro-3-methylpyrazole-5-carboxamide?
The canonical SMILES for N-(6-cyano-11,11-dimethyl-9-oxa-1,3-diazatricyclo[6.4.1.04,13]trideca-2,4(13),5,7-tetraen-2-yl)-1-ethyl-4-fluoro-3-methylpyrazole-5-carboxamide is CCn1nc(C)c(F)c1C(=O)Nc1nc2cc(C#N)cc3c2n1CC(C)(C)CO3.
What is the InChIKey of N-(6-cyano-11,11-dimethyl-9-oxa-1,3-diazatricyclo[6.4.1.04,13]trideca-2,4(13),5,7-tetraen-2-yl)-1-ethyl-4-fluoro-3-methylpyrazole-5-carboxamide?
The InChIKey is GGCYQWYKUUXHPI-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H21FN6O2/c1-5-27-17(15(21)11(2)25-27)18(28)24-19-23-13-6-12(8-22)7-14-16(13)26(19)9-20(3,4)10-29-14/h6-7H,5,9-10H2,1-4H3,(H,23,24,28).
What are the key properties of N-(6-cyano-11,11-dimethyl-9-oxa-1,3-diazatricyclo[6.4.1.04,13]trideca-2,4(13),5,7-tetraen-2-yl)-1-ethyl-4-fluoro-3-methylpyrazole-5-carboxamide?
N-(6-cyano-11,11-dimethyl-9-oxa-1,3-diazatricyclo[6.4.1.04,13]trideca-2,4(13),5,7-tetraen-2-yl)-1-ethyl-4-fluoro-3-methylpyrazole-5-carboxamide has a molecular weight of 396.43 g/mol, XLogP of 3.24, 3 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for N-(6-cyano-11,11-dimethyl-9-oxa-1,3-diazatricyclo[6.4.1.04,13]trideca-2,4(13),5,7-tetraen-2-yl)-1-ethyl-4-fluoro-3-methylpyrazole-5-carboxamide is sourced from PubChem (CID 163579234), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).