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

C16H19N5 — CID 75484155

IUPAC2-[(2-propan-2-yl-4,5,6,7-tetrahydroindazol-7-yl)amino]pyridine-3-carbonitrile
SMILESCC(C)n1cc2c(n1)C(Nc1ncccc1C#N)CCC2
InChIInChI=1S/C16H19N5/c1-11(2)21-10-13-5-3-7-14(15(13)20-21)19-16-12(9-17)6-4-8-18-16/h4,6,8,10-11,14H,3,5,7H2,1-2H3,(H,18,19)
InChIKeyMYQFUFCDIAGDBG-UHFFFAOYSA-N
MW281.36 g/mol
LogP3.22
Rot. Bonds3

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

2-[(2-propan-2-yl-4,5,6,7-tetrahydroindazol-7-yl)amino]pyridine-3-carbonitrile (PubChem CID 75484155) has the molecular formula C16H19N5 and a molecular weight of 281.36 g/mol. Its IUPAC name is 2-[(2-propan-2-yl-4,5,6,7-tetrahydroindazol-7-yl)amino]pyridine-3-carbonitrile.

Molecular Properties

Compound Name2-[(2-propan-2-yl-4,5,6,7-tetrahydroindazol-7-yl)amino]pyridine-3-carbonitrile
PubChem CID75484155
Molecular FormulaC16H19N5
Molecular Weight281.36 g/mol
Exact Mass281.16
IUPAC Name2-[(2-propan-2-yl-4,5,6,7-tetrahydroindazol-7-yl)amino]pyridine-3-carbonitrile
SMILESCC(C)n1cc2c(n1)C(Nc1ncccc1C#N)CCC2
InChIInChI=1S/C16H19N5/c1-11(2)21-10-13-5-3-7-14(15(13)20-21)19-16-12(9-17)6-4-8-18-16/h4,6,8,10-11,14H,3,5,7H2,1-2H3,(H,18,19)
InChIKeyMYQFUFCDIAGDBG-UHFFFAOYSA-N
XLogP3.22
TPSA66.53 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500281.36
LogP ≤ 53.22
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 2-[(2-propan-2-yl-4,5,6,7-tetrahydroindazol-7-yl)amino]pyridine-3-carbonitrile?
The IUPAC name of 2-[(2-propan-2-yl-4,5,6,7-tetrahydroindazol-7-yl)amino]pyridine-3-carbonitrile (CID 75484155) is 2-[(2-propan-2-yl-4,5,6,7-tetrahydroindazol-7-yl)amino]pyridine-3-carbonitrile.
What is the SMILES notation for 2-[(2-propan-2-yl-4,5,6,7-tetrahydroindazol-7-yl)amino]pyridine-3-carbonitrile?
The canonical SMILES for 2-[(2-propan-2-yl-4,5,6,7-tetrahydroindazol-7-yl)amino]pyridine-3-carbonitrile is CC(C)n1cc2c(n1)C(Nc1ncccc1C#N)CCC2.
What is the InChIKey of 2-[(2-propan-2-yl-4,5,6,7-tetrahydroindazol-7-yl)amino]pyridine-3-carbonitrile?
The InChIKey is MYQFUFCDIAGDBG-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H19N5/c1-11(2)21-10-13-5-3-7-14(15(13)20-21)19-16-12(9-17)6-4-8-18-16/h4,6,8,10-11,14H,3,5,7H2,1-2H3,(H,18,19).
What are the key properties of 2-[(2-propan-2-yl-4,5,6,7-tetrahydroindazol-7-yl)amino]pyridine-3-carbonitrile?
2-[(2-propan-2-yl-4,5,6,7-tetrahydroindazol-7-yl)amino]pyridine-3-carbonitrile has a molecular weight of 281.36 g/mol, XLogP of 3.22, 3 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(2-propan-2-yl-4,5,6,7-tetrahydroindazol-7-yl)amino]pyridine-3-carbonitrile is sourced from PubChem (CID 75484155), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).