5-(2-propan-2-yl-4-pyridinyl)-1H-indazol-3-amine

C15H16N4 — CID 58588585

IUPAC5-(2-propan-2-yl-4-pyridinyl)-1H-indazol-3-amine
SMILESCC(C)c1cc(-c2ccc3[nH]nc(N)c3c2)ccn1
InChIInChI=1S/C15H16N4/c1-9(2)14-8-11(5-6-17-14)10-3-4-13-12(7-10)15(16)19-18-13/h3-9H,1-2H3,(H3,16,18,19)
InChIKeyJHOVSQSLQSAHPH-UHFFFAOYSA-N
MW252.32 g/mol
LogP3.33
Rot. Bonds2

About 5-(2-propan-2-yl-4-pyridinyl)-1H-indazol-3-amine

5-(2-propan-2-yl-4-pyridinyl)-1H-indazol-3-amine (PubChem CID 58588585) has the molecular formula C15H16N4 and a molecular weight of 252.32 g/mol. Its IUPAC name is 5-(2-propan-2-yl-4-pyridinyl)-1H-indazol-3-amine.

Molecular Properties

Compound Name5-(2-propan-2-yl-4-pyridinyl)-1H-indazol-3-amine
PubChem CID58588585
Molecular FormulaC15H16N4
Molecular Weight252.32 g/mol
Exact Mass252.14
IUPAC Name5-(2-propan-2-yl-4-pyridinyl)-1H-indazol-3-amine
SMILESCC(C)c1cc(-c2ccc3[nH]nc(N)c3c2)ccn1
InChIInChI=1S/C15H16N4/c1-9(2)14-8-11(5-6-17-14)10-3-4-13-12(7-10)15(16)19-18-13/h3-9H,1-2H3,(H3,16,18,19)
InChIKeyJHOVSQSLQSAHPH-UHFFFAOYSA-N
XLogP3.33
TPSA67.59 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500252.32
LogP ≤ 53.33
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 5-(2-propan-2-yl-4-pyridinyl)-1H-indazol-3-amine?
The IUPAC name of 5-(2-propan-2-yl-4-pyridinyl)-1H-indazol-3-amine (CID 58588585) is 5-(2-propan-2-yl-4-pyridinyl)-1H-indazol-3-amine.
What is the SMILES notation for 5-(2-propan-2-yl-4-pyridinyl)-1H-indazol-3-amine?
The canonical SMILES for 5-(2-propan-2-yl-4-pyridinyl)-1H-indazol-3-amine is CC(C)c1cc(-c2ccc3[nH]nc(N)c3c2)ccn1.
What is the InChIKey of 5-(2-propan-2-yl-4-pyridinyl)-1H-indazol-3-amine?
The InChIKey is JHOVSQSLQSAHPH-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H16N4/c1-9(2)14-8-11(5-6-17-14)10-3-4-13-12(7-10)15(16)19-18-13/h3-9H,1-2H3,(H3,16,18,19).
What are the key properties of 5-(2-propan-2-yl-4-pyridinyl)-1H-indazol-3-amine?
5-(2-propan-2-yl-4-pyridinyl)-1H-indazol-3-amine has a molecular weight of 252.32 g/mol, XLogP of 3.33, 2 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 5-(2-propan-2-yl-4-pyridinyl)-1H-indazol-3-amine is sourced from PubChem (CID 58588585), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).