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

C15H14F3N5 — CID 97346522

IUPAC6-[[(7S)-2-(2,2,2-trifluoroethyl)-4,5,6,7-tetrahydroindazol-7-yl]amino]pyridine-3-carbonitrile
SMILESN#Cc1ccc(N[C@H]2CCCc3cn(CC(F)(F)F)nc32)nc1
InChIInChI=1S/C15H14F3N5/c16-15(17,18)9-23-8-11-2-1-3-12(14(11)22-23)21-13-5-4-10(6-19)7-20-13/h4-5,7-8,12H,1-3,9H2,(H,20,21)/t12-/m0/s1
InChIKeyPTIAYJJIVUMGSJ-LBPRGKRZSA-N
MW321.31 g/mol
LogP3.20
Rot. Bonds3

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

6-[[(7S)-2-(2,2,2-trifluoroethyl)-4,5,6,7-tetrahydroindazol-7-yl]amino]pyridine-3-carbonitrile (PubChem CID 97346522) has the molecular formula C15H14F3N5 and a molecular weight of 321.31 g/mol. Its IUPAC name is 6-[[(7S)-2-(2,2,2-trifluoroethyl)-4,5,6,7-tetrahydroindazol-7-yl]amino]pyridine-3-carbonitrile.

Molecular Properties

Compound Name6-[[(7S)-2-(2,2,2-trifluoroethyl)-4,5,6,7-tetrahydroindazol-7-yl]amino]pyridine-3-carbonitrile
PubChem CID97346522
Molecular FormulaC15H14F3N5
Molecular Weight321.31 g/mol
Exact Mass321.12
IUPAC Name6-[[(7S)-2-(2,2,2-trifluoroethyl)-4,5,6,7-tetrahydroindazol-7-yl]amino]pyridine-3-carbonitrile
SMILESN#Cc1ccc(N[C@H]2CCCc3cn(CC(F)(F)F)nc32)nc1
InChIInChI=1S/C15H14F3N5/c16-15(17,18)9-23-8-11-2-1-3-12(14(11)22-23)21-13-5-4-10(6-19)7-20-13/h4-5,7-8,12H,1-3,9H2,(H,20,21)/t12-/m0/s1
InChIKeyPTIAYJJIVUMGSJ-LBPRGKRZSA-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 6-[[(7S)-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 6-[[(7S)-2-(2,2,2-trifluoroethyl)-4,5,6,7-tetrahydroindazol-7-yl]amino]pyridine-3-carbonitrile?
The IUPAC name of 6-[[(7S)-2-(2,2,2-trifluoroethyl)-4,5,6,7-tetrahydroindazol-7-yl]amino]pyridine-3-carbonitrile (CID 97346522) is 6-[[(7S)-2-(2,2,2-trifluoroethyl)-4,5,6,7-tetrahydroindazol-7-yl]amino]pyridine-3-carbonitrile.
What is the SMILES notation for 6-[[(7S)-2-(2,2,2-trifluoroethyl)-4,5,6,7-tetrahydroindazol-7-yl]amino]pyridine-3-carbonitrile?
The canonical SMILES for 6-[[(7S)-2-(2,2,2-trifluoroethyl)-4,5,6,7-tetrahydroindazol-7-yl]amino]pyridine-3-carbonitrile is N#Cc1ccc(N[C@H]2CCCc3cn(CC(F)(F)F)nc32)nc1.
What is the InChIKey of 6-[[(7S)-2-(2,2,2-trifluoroethyl)-4,5,6,7-tetrahydroindazol-7-yl]amino]pyridine-3-carbonitrile?
The InChIKey is PTIAYJJIVUMGSJ-LBPRGKRZSA-N. The full InChI is InChI=1S/C15H14F3N5/c16-15(17,18)9-23-8-11-2-1-3-12(14(11)22-23)21-13-5-4-10(6-19)7-20-13/h4-5,7-8,12H,1-3,9H2,(H,20,21)/t12-/m0/s1.
What are the key properties of 6-[[(7S)-2-(2,2,2-trifluoroethyl)-4,5,6,7-tetrahydroindazol-7-yl]amino]pyridine-3-carbonitrile?
6-[[(7S)-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 6-[[(7S)-2-(2,2,2-trifluoroethyl)-4,5,6,7-tetrahydroindazol-7-yl]amino]pyridine-3-carbonitrile is sourced from PubChem (CID 97346522), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).