N-[5-cyano-6-(difluoromethoxy)-3-pyridinyl]-11-fluorospiro[1,8,12-triazatricyclo[7.3.0.02,6]dodeca-2(6),7,9,11-tetraene-3,1'-cyclopropane]-5-carboxamide

C19H13F3N6O2 — CID 164600545

IUPACN-[5-cyano-6-(difluoromethoxy)-3-pyridinyl]-11-fluorospiro[1,8,12-triazatricyclo[7.3.0.02,6]dodeca-2(6),7,9,11-tetraene-3,1'-cyclopropane]-5-carboxamide
SMILESN#Cc1cc(NC(=O)C2CC3(CC3)c3c2cnc2cc(F)nn32)cnc1OC(F)F
InChIInChI=1S/C19H13F3N6O2/c20-13-4-14-24-8-12-11(5-19(1-2-19)15(12)28(14)27-13)16(29)26-10-3-9(6-23)17(25-7-10)30-18(21)22/h3-4,7-8,11,18H,1-2,5H2,(H,26,29)
InChIKeyCEJPRWHFGFCDIM-UHFFFAOYSA-N
MW414.35 g/mol
LogP2.89
Rot. Bonds4

About N-[5-cyano-6-(difluoromethoxy)-3-pyridinyl]-11-fluorospiro[1,8,12-triazatricyclo[7.3.0.02,6]dodeca-2(6),7,9,11-tetraene-3,1'-cyclopropane]-5-carboxamide

N-[5-cyano-6-(difluoromethoxy)-3-pyridinyl]-11-fluorospiro[1,8,12-triazatricyclo[7.3.0.02,6]dodeca-2(6),7,9,11-tetraene-3,1'-cyclopropane]-5-carboxamide (PubChem CID 164600545) has the molecular formula C19H13F3N6O2 and a molecular weight of 414.35 g/mol. Its IUPAC name is N-[5-cyano-6-(difluoromethoxy)-3-pyridinyl]-11-fluorospiro[1,8,12-triazatricyclo[7.3.0.02,6]dodeca-2(6),7,9,11-tetraene-3,1'-cyclopropane]-5-carboxamide.

Molecular Properties

Compound NameN-[5-cyano-6-(difluoromethoxy)-3-pyridinyl]-11-fluorospiro[1,8,12-triazatricyclo[7.3.0.02,6]dodeca-2(6),7,9,11-tetraene-3,1'-cyclopropane]-5-carboxamide
PubChem CID164600545
Molecular FormulaC19H13F3N6O2
Molecular Weight414.35 g/mol
Exact Mass414.11
IUPAC NameN-[5-cyano-6-(difluoromethoxy)-3-pyridinyl]-11-fluorospiro[1,8,12-triazatricyclo[7.3.0.02,6]dodeca-2(6),7,9,11-tetraene-3,1'-cyclopropane]-5-carboxamide
SMILESN#Cc1cc(NC(=O)C2CC3(CC3)c3c2cnc2cc(F)nn32)cnc1OC(F)F
InChIInChI=1S/C19H13F3N6O2/c20-13-4-14-24-8-12-11(5-19(1-2-19)15(12)28(14)27-13)16(29)26-10-3-9(6-23)17(25-7-10)30-18(21)22/h3-4,7-8,11,18H,1-2,5H2,(H,26,29)
InChIKeyCEJPRWHFGFCDIM-UHFFFAOYSA-N
XLogP2.89
TPSA105.20 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds4
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500414.35
LogP ≤ 52.89
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

Analyze N-[5-cyano-6-(difluoromethoxy)-3-pyridinyl]-11-fluorospiro[1,8,12-triazatricyclo[7.3.0.02,6]dodeca-2(6),7,9,11-tetraene-3,1'-cyclopropane]-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-[5-cyano-6-(difluoromethoxy)-3-pyridinyl]-11-fluorospiro[1,8,12-triazatricyclo[7.3.0.02,6]dodeca-2(6),7,9,11-tetraene-3,1'-cyclopropane]-5-carboxamide?
The IUPAC name of N-[5-cyano-6-(difluoromethoxy)-3-pyridinyl]-11-fluorospiro[1,8,12-triazatricyclo[7.3.0.02,6]dodeca-2(6),7,9,11-tetraene-3,1'-cyclopropane]-5-carboxamide (CID 164600545) is N-[5-cyano-6-(difluoromethoxy)-3-pyridinyl]-11-fluorospiro[1,8,12-triazatricyclo[7.3.0.02,6]dodeca-2(6),7,9,11-tetraene-3,1'-cyclopropane]-5-carboxamide.
What is the SMILES notation for N-[5-cyano-6-(difluoromethoxy)-3-pyridinyl]-11-fluorospiro[1,8,12-triazatricyclo[7.3.0.02,6]dodeca-2(6),7,9,11-tetraene-3,1'-cyclopropane]-5-carboxamide?
The canonical SMILES for N-[5-cyano-6-(difluoromethoxy)-3-pyridinyl]-11-fluorospiro[1,8,12-triazatricyclo[7.3.0.02,6]dodeca-2(6),7,9,11-tetraene-3,1'-cyclopropane]-5-carboxamide is N#Cc1cc(NC(=O)C2CC3(CC3)c3c2cnc2cc(F)nn32)cnc1OC(F)F.
What is the InChIKey of N-[5-cyano-6-(difluoromethoxy)-3-pyridinyl]-11-fluorospiro[1,8,12-triazatricyclo[7.3.0.02,6]dodeca-2(6),7,9,11-tetraene-3,1'-cyclopropane]-5-carboxamide?
The InChIKey is CEJPRWHFGFCDIM-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H13F3N6O2/c20-13-4-14-24-8-12-11(5-19(1-2-19)15(12)28(14)27-13)16(29)26-10-3-9(6-23)17(25-7-10)30-18(21)22/h3-4,7-8,11,18H,1-2,5H2,(H,26,29).
What are the key properties of N-[5-cyano-6-(difluoromethoxy)-3-pyridinyl]-11-fluorospiro[1,8,12-triazatricyclo[7.3.0.02,6]dodeca-2(6),7,9,11-tetraene-3,1'-cyclopropane]-5-carboxamide?
N-[5-cyano-6-(difluoromethoxy)-3-pyridinyl]-11-fluorospiro[1,8,12-triazatricyclo[7.3.0.02,6]dodeca-2(6),7,9,11-tetraene-3,1'-cyclopropane]-5-carboxamide has a molecular weight of 414.35 g/mol, XLogP of 2.89, 4 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for N-[5-cyano-6-(difluoromethoxy)-3-pyridinyl]-11-fluorospiro[1,8,12-triazatricyclo[7.3.0.02,6]dodeca-2(6),7,9,11-tetraene-3,1'-cyclopropane]-5-carboxamide is sourced from PubChem (CID 164600545), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).