1-[(5-fluoro-6-propan-2-yl-2-pyridinyl)methyl]-3-methylindazol-4-amine

C17H19FN4 — CID 67974573

IUPAC1-[(5-fluoro-6-propan-2-yl-2-pyridinyl)methyl]-3-methylindazol-4-amine
SMILESCc1nn(Cc2ccc(F)c(C(C)C)n2)c2cccc(N)c12
InChIInChI=1S/C17H19FN4/c1-10(2)17-13(18)8-7-12(20-17)9-22-15-6-4-5-14(19)16(15)11(3)21-22/h4-8,10H,9,19H2,1-3H3
InChIKeyADVVMTVPJSQCBX-UHFFFAOYSA-N
MW298.37 g/mol
LogP3.63
Rot. Bonds3

About 1-[(5-fluoro-6-propan-2-yl-2-pyridinyl)methyl]-3-methylindazol-4-amine

1-[(5-fluoro-6-propan-2-yl-2-pyridinyl)methyl]-3-methylindazol-4-amine (PubChem CID 67974573) has the molecular formula C17H19FN4 and a molecular weight of 298.37 g/mol. Its IUPAC name is 1-[(5-fluoro-6-propan-2-yl-2-pyridinyl)methyl]-3-methylindazol-4-amine.

Molecular Properties

Compound Name1-[(5-fluoro-6-propan-2-yl-2-pyridinyl)methyl]-3-methylindazol-4-amine
PubChem CID67974573
Molecular FormulaC17H19FN4
Molecular Weight298.37 g/mol
Exact Mass298.16
IUPAC Name1-[(5-fluoro-6-propan-2-yl-2-pyridinyl)methyl]-3-methylindazol-4-amine
SMILESCc1nn(Cc2ccc(F)c(C(C)C)n2)c2cccc(N)c12
InChIInChI=1S/C17H19FN4/c1-10(2)17-13(18)8-7-12(20-17)9-22-15-6-4-5-14(19)16(15)11(3)21-22/h4-8,10H,9,19H2,1-3H3
InChIKeyADVVMTVPJSQCBX-UHFFFAOYSA-N
XLogP3.63
TPSA56.73 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500298.37
LogP ≤ 53.63
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 1-[(5-fluoro-6-propan-2-yl-2-pyridinyl)methyl]-3-methylindazol-4-amine?
The IUPAC name of 1-[(5-fluoro-6-propan-2-yl-2-pyridinyl)methyl]-3-methylindazol-4-amine (CID 67974573) is 1-[(5-fluoro-6-propan-2-yl-2-pyridinyl)methyl]-3-methylindazol-4-amine.
What is the SMILES notation for 1-[(5-fluoro-6-propan-2-yl-2-pyridinyl)methyl]-3-methylindazol-4-amine?
The canonical SMILES for 1-[(5-fluoro-6-propan-2-yl-2-pyridinyl)methyl]-3-methylindazol-4-amine is Cc1nn(Cc2ccc(F)c(C(C)C)n2)c2cccc(N)c12.
What is the InChIKey of 1-[(5-fluoro-6-propan-2-yl-2-pyridinyl)methyl]-3-methylindazol-4-amine?
The InChIKey is ADVVMTVPJSQCBX-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H19FN4/c1-10(2)17-13(18)8-7-12(20-17)9-22-15-6-4-5-14(19)16(15)11(3)21-22/h4-8,10H,9,19H2,1-3H3.
What are the key properties of 1-[(5-fluoro-6-propan-2-yl-2-pyridinyl)methyl]-3-methylindazol-4-amine?
1-[(5-fluoro-6-propan-2-yl-2-pyridinyl)methyl]-3-methylindazol-4-amine has a molecular weight of 298.37 g/mol, XLogP of 3.63, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[(5-fluoro-6-propan-2-yl-2-pyridinyl)methyl]-3-methylindazol-4-amine is sourced from PubChem (CID 67974573), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).