2-[[(7R)-2-(2,2,2-trifluoroethyl)-4,5,6,7-tetrahydroindazol-7-yl]amino]pyridine-3-carbonitrile

C15H14F3N5 — CID 97346523

IUPAC2-[[(7R)-2-(2,2,2-trifluoroethyl)-4,5,6,7-tetrahydroindazol-7-yl]amino]pyridine-3-carbonitrile
SMILESN#Cc1cccnc1N[C@@H]1CCCc2cn(CC(F)(F)F)nc21
InChIInChI=1S/C15H14F3N5/c16-15(17,18)9-23-8-11-3-1-5-12(13(11)22-23)21-14-10(7-19)4-2-6-20-14/h2,4,6,8,12H,1,3,5,9H2,(H,20,21)/t12-/m1/s1
InChIKeyJBCOGMVLEWLHAL-GFCCVEGCSA-N
MW321.31 g/mol
LogP3.20
Rot. Bonds3

About 2-[[(7R)-2-(2,2,2-trifluoroethyl)-4,5,6,7-tetrahydroindazol-7-yl]amino]pyridine-3-carbonitrile

2-[[(7R)-2-(2,2,2-trifluoroethyl)-4,5,6,7-tetrahydroindazol-7-yl]amino]pyridine-3-carbonitrile (PubChem CID 97346523) has the molecular formula C15H14F3N5 and a molecular weight of 321.31 g/mol. Its IUPAC name is 2-[[(7R)-2-(2,2,2-trifluoroethyl)-4,5,6,7-tetrahydroindazol-7-yl]amino]pyridine-3-carbonitrile.

Molecular Properties

Compound Name2-[[(7R)-2-(2,2,2-trifluoroethyl)-4,5,6,7-tetrahydroindazol-7-yl]amino]pyridine-3-carbonitrile
PubChem CID97346523
Molecular FormulaC15H14F3N5
Molecular Weight321.31 g/mol
Exact Mass321.12
IUPAC Name2-[[(7R)-2-(2,2,2-trifluoroethyl)-4,5,6,7-tetrahydroindazol-7-yl]amino]pyridine-3-carbonitrile
SMILESN#Cc1cccnc1N[C@@H]1CCCc2cn(CC(F)(F)F)nc21
InChIInChI=1S/C15H14F3N5/c16-15(17,18)9-23-8-11-3-1-5-12(13(11)22-23)21-14-10(7-19)4-2-6-20-14/h2,4,6,8,12H,1,3,5,9H2,(H,20,21)/t12-/m1/s1
InChIKeyJBCOGMVLEWLHAL-GFCCVEGCSA-N
XLogP3.20
TPSA66.53 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500321.31
LogP ≤ 53.20
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Analyze 2-[[(7R)-2-(2,2,2-trifluoroethyl)-4,5,6,7-tetrahydroindazol-7-yl]amino]pyridine-3-carbonitrile with MolForge

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Frequently Asked Questions

What is the IUPAC name of 2-[[(7R)-2-(2,2,2-trifluoroethyl)-4,5,6,7-tetrahydroindazol-7-yl]amino]pyridine-3-carbonitrile?
The IUPAC name of 2-[[(7R)-2-(2,2,2-trifluoroethyl)-4,5,6,7-tetrahydroindazol-7-yl]amino]pyridine-3-carbonitrile (CID 97346523) is 2-[[(7R)-2-(2,2,2-trifluoroethyl)-4,5,6,7-tetrahydroindazol-7-yl]amino]pyridine-3-carbonitrile.
What is the SMILES notation for 2-[[(7R)-2-(2,2,2-trifluoroethyl)-4,5,6,7-tetrahydroindazol-7-yl]amino]pyridine-3-carbonitrile?
The canonical SMILES for 2-[[(7R)-2-(2,2,2-trifluoroethyl)-4,5,6,7-tetrahydroindazol-7-yl]amino]pyridine-3-carbonitrile is N#Cc1cccnc1N[C@@H]1CCCc2cn(CC(F)(F)F)nc21.
What is the InChIKey of 2-[[(7R)-2-(2,2,2-trifluoroethyl)-4,5,6,7-tetrahydroindazol-7-yl]amino]pyridine-3-carbonitrile?
The InChIKey is JBCOGMVLEWLHAL-GFCCVEGCSA-N. The full InChI is InChI=1S/C15H14F3N5/c16-15(17,18)9-23-8-11-3-1-5-12(13(11)22-23)21-14-10(7-19)4-2-6-20-14/h2,4,6,8,12H,1,3,5,9H2,(H,20,21)/t12-/m1/s1.
What are the key properties of 2-[[(7R)-2-(2,2,2-trifluoroethyl)-4,5,6,7-tetrahydroindazol-7-yl]amino]pyridine-3-carbonitrile?
2-[[(7R)-2-(2,2,2-trifluoroethyl)-4,5,6,7-tetrahydroindazol-7-yl]amino]pyridine-3-carbonitrile has a molecular weight of 321.31 g/mol, XLogP of 3.20, 3 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[[(7R)-2-(2,2,2-trifluoroethyl)-4,5,6,7-tetrahydroindazol-7-yl]amino]pyridine-3-carbonitrile is sourced from PubChem (CID 97346523), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).