5-chloro-N-(2-methylpyrazol-3-yl)-4-[5-(1,1,2,2-tetrafluoroethyl)-8-(trifluoromethyl)-3,4,6,9-tetrazatricyclo[7.3.0.02,6]dodeca-1(12),2,4,10-tetraen-11-yl]pyridin-2-amine

C20H14ClF7N8 — CID 155376304

IUPAC5-chloro-N-(2-methylpyrazol-3-yl)-4-[5-(1,1,2,2-tetrafluoroethyl)-8-(trifluoromethyl)-3,4,6,9-tetrazatricyclo[7.3.0.02,6]dodeca-1(12),2,4,10-tetraen-11-yl]pyridin-2-amine
SMILESCn1nccc1Nc1cc(-c2cc3n(c2)C(C(F)(F)F)Cn2c-3nnc2C(F)(F)C(F)F)c(Cl)cn1
InChIInChI=1S/C20H14ClF7N8/c1-34-15(2-3-30-34)31-14-5-10(11(21)6-29-14)9-4-12-16-32-33-18(19(24,25)17(22)23)36(16)8-13(20(26,27)28)35(12)7-9/h2-7,13,17H,8H2,1H3,(H,29,31)
InChIKeyYINMVHGNJWLNGF-UHFFFAOYSA-N
MW534.83 g/mol
LogP5.41
Rot. Bonds5

About 5-chloro-N-(2-methylpyrazol-3-yl)-4-[5-(1,1,2,2-tetrafluoroethyl)-8-(trifluoromethyl)-3,4,6,9-tetrazatricyclo[7.3.0.02,6]dodeca-1(12),2,4,10-tetraen-11-yl]pyridin-2-amine

5-chloro-N-(2-methylpyrazol-3-yl)-4-[5-(1,1,2,2-tetrafluoroethyl)-8-(trifluoromethyl)-3,4,6,9-tetrazatricyclo[7.3.0.02,6]dodeca-1(12),2,4,10-tetraen-11-yl]pyridin-2-amine (PubChem CID 155376304) has the molecular formula C20H14ClF7N8 and a molecular weight of 534.83 g/mol. Its IUPAC name is 5-chloro-N-(2-methylpyrazol-3-yl)-4-[5-(1,1,2,2-tetrafluoroethyl)-8-(trifluoromethyl)-3,4,6,9-tetrazatricyclo[7.3.0.02,6]dodeca-1(12),2,4,10-tetraen-11-yl]pyridin-2-amine.

Molecular Properties

Compound Name5-chloro-N-(2-methylpyrazol-3-yl)-4-[5-(1,1,2,2-tetrafluoroethyl)-8-(trifluoromethyl)-3,4,6,9-tetrazatricyclo[7.3.0.02,6]dodeca-1(12),2,4,10-tetraen-11-yl]pyridin-2-amine
PubChem CID155376304
Molecular FormulaC20H14ClF7N8
Molecular Weight534.83 g/mol
Exact Mass534.09
IUPAC Name5-chloro-N-(2-methylpyrazol-3-yl)-4-[5-(1,1,2,2-tetrafluoroethyl)-8-(trifluoromethyl)-3,4,6,9-tetrazatricyclo[7.3.0.02,6]dodeca-1(12),2,4,10-tetraen-11-yl]pyridin-2-amine
SMILESCn1nccc1Nc1cc(-c2cc3n(c2)C(C(F)(F)F)Cn2c-3nnc2C(F)(F)C(F)F)c(Cl)cn1
InChIInChI=1S/C20H14ClF7N8/c1-34-15(2-3-30-34)31-14-5-10(11(21)6-29-14)9-4-12-16-32-33-18(19(24,25)17(22)23)36(16)8-13(20(26,27)28)35(12)7-9/h2-7,13,17H,8H2,1H3,(H,29,31)
InChIKeyYINMVHGNJWLNGF-UHFFFAOYSA-N
XLogP5.41
TPSA78.38 Ų
H-Bond Donors1
H-Bond Acceptors8
Rotatable Bonds5
Heavy Atoms36
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500534.83
LogP ≤ 55.41
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 108

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Perfluorinated_chain', 'substructure': 'N/A'}

Analyze 5-chloro-N-(2-methylpyrazol-3-yl)-4-[5-(1,1,2,2-tetrafluoroethyl)-8-(trifluoromethyl)-3,4,6,9-tetrazatricyclo[7.3.0.02,6]dodeca-1(12),2,4,10-tetraen-11-yl]pyridin-2-amine 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 5-chloro-N-(2-methylpyrazol-3-yl)-4-[5-(1,1,2,2-tetrafluoroethyl)-8-(trifluoromethyl)-3,4,6,9-tetrazatricyclo[7.3.0.02,6]dodeca-1(12),2,4,10-tetraen-11-yl]pyridin-2-amine?
The IUPAC name of 5-chloro-N-(2-methylpyrazol-3-yl)-4-[5-(1,1,2,2-tetrafluoroethyl)-8-(trifluoromethyl)-3,4,6,9-tetrazatricyclo[7.3.0.02,6]dodeca-1(12),2,4,10-tetraen-11-yl]pyridin-2-amine (CID 155376304) is 5-chloro-N-(2-methylpyrazol-3-yl)-4-[5-(1,1,2,2-tetrafluoroethyl)-8-(trifluoromethyl)-3,4,6,9-tetrazatricyclo[7.3.0.02,6]dodeca-1(12),2,4,10-tetraen-11-yl]pyridin-2-amine.
What is the SMILES notation for 5-chloro-N-(2-methylpyrazol-3-yl)-4-[5-(1,1,2,2-tetrafluoroethyl)-8-(trifluoromethyl)-3,4,6,9-tetrazatricyclo[7.3.0.02,6]dodeca-1(12),2,4,10-tetraen-11-yl]pyridin-2-amine?
The canonical SMILES for 5-chloro-N-(2-methylpyrazol-3-yl)-4-[5-(1,1,2,2-tetrafluoroethyl)-8-(trifluoromethyl)-3,4,6,9-tetrazatricyclo[7.3.0.02,6]dodeca-1(12),2,4,10-tetraen-11-yl]pyridin-2-amine is Cn1nccc1Nc1cc(-c2cc3n(c2)C(C(F)(F)F)Cn2c-3nnc2C(F)(F)C(F)F)c(Cl)cn1.
What is the InChIKey of 5-chloro-N-(2-methylpyrazol-3-yl)-4-[5-(1,1,2,2-tetrafluoroethyl)-8-(trifluoromethyl)-3,4,6,9-tetrazatricyclo[7.3.0.02,6]dodeca-1(12),2,4,10-tetraen-11-yl]pyridin-2-amine?
The InChIKey is YINMVHGNJWLNGF-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H14ClF7N8/c1-34-15(2-3-30-34)31-14-5-10(11(21)6-29-14)9-4-12-16-32-33-18(19(24,25)17(22)23)36(16)8-13(20(26,27)28)35(12)7-9/h2-7,13,17H,8H2,1H3,(H,29,31).
What are the key properties of 5-chloro-N-(2-methylpyrazol-3-yl)-4-[5-(1,1,2,2-tetrafluoroethyl)-8-(trifluoromethyl)-3,4,6,9-tetrazatricyclo[7.3.0.02,6]dodeca-1(12),2,4,10-tetraen-11-yl]pyridin-2-amine?
5-chloro-N-(2-methylpyrazol-3-yl)-4-[5-(1,1,2,2-tetrafluoroethyl)-8-(trifluoromethyl)-3,4,6,9-tetrazatricyclo[7.3.0.02,6]dodeca-1(12),2,4,10-tetraen-11-yl]pyridin-2-amine has a molecular weight of 534.83 g/mol, XLogP of 5.41, 5 rotatable bonds, 1 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for 5-chloro-N-(2-methylpyrazol-3-yl)-4-[5-(1,1,2,2-tetrafluoroethyl)-8-(trifluoromethyl)-3,4,6,9-tetrazatricyclo[7.3.0.02,6]dodeca-1(12),2,4,10-tetraen-11-yl]pyridin-2-amine is sourced from PubChem (CID 155376304), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).