6-(3-fluoro-2-methyl-4-pyridinyl)-5-methoxy-N-(1-methylpiperidin-4-yl)-1H-indazol-3-amine

C20H24FN5O — CID 166635576

IUPAC6-(3-fluoro-2-methyl-4-pyridinyl)-5-methoxy-N-(1-methylpiperidin-4-yl)-1H-indazol-3-amine
SMILESCOc1cc2c(NC3CCN(C)CC3)n[nH]c2cc1-c1ccnc(C)c1F
InChIInChI=1S/C20H24FN5O/c1-12-19(21)14(4-7-22-12)15-10-17-16(11-18(15)27-3)20(25-24-17)23-13-5-8-26(2)9-6-13/h4,7,10-11,13H,5-6,8-9H2,1-3H3,(H2,23,24,25)
InChIKeyJDWWBWZTNILPQF-UHFFFAOYSA-N
MW369.44 g/mol
LogP3.59
Rot. Bonds4

About 6-(3-fluoro-2-methyl-4-pyridinyl)-5-methoxy-N-(1-methylpiperidin-4-yl)-1H-indazol-3-amine

6-(3-fluoro-2-methyl-4-pyridinyl)-5-methoxy-N-(1-methylpiperidin-4-yl)-1H-indazol-3-amine (PubChem CID 166635576) has the molecular formula C20H24FN5O and a molecular weight of 369.44 g/mol. Its IUPAC name is 6-(3-fluoro-2-methyl-4-pyridinyl)-5-methoxy-N-(1-methylpiperidin-4-yl)-1H-indazol-3-amine.

Molecular Properties

Compound Name6-(3-fluoro-2-methyl-4-pyridinyl)-5-methoxy-N-(1-methylpiperidin-4-yl)-1H-indazol-3-amine
PubChem CID166635576
Molecular FormulaC20H24FN5O
Molecular Weight369.44 g/mol
Exact Mass369.20
IUPAC Name6-(3-fluoro-2-methyl-4-pyridinyl)-5-methoxy-N-(1-methylpiperidin-4-yl)-1H-indazol-3-amine
SMILESCOc1cc2c(NC3CCN(C)CC3)n[nH]c2cc1-c1ccnc(C)c1F
InChIInChI=1S/C20H24FN5O/c1-12-19(21)14(4-7-22-12)15-10-17-16(11-18(15)27-3)20(25-24-17)23-13-5-8-26(2)9-6-13/h4,7,10-11,13H,5-6,8-9H2,1-3H3,(H2,23,24,25)
InChIKeyJDWWBWZTNILPQF-UHFFFAOYSA-N
XLogP3.59
TPSA66.07 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500369.44
LogP ≤ 53.59
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 6-(3-fluoro-2-methyl-4-pyridinyl)-5-methoxy-N-(1-methylpiperidin-4-yl)-1H-indazol-3-amine?
The IUPAC name of 6-(3-fluoro-2-methyl-4-pyridinyl)-5-methoxy-N-(1-methylpiperidin-4-yl)-1H-indazol-3-amine (CID 166635576) is 6-(3-fluoro-2-methyl-4-pyridinyl)-5-methoxy-N-(1-methylpiperidin-4-yl)-1H-indazol-3-amine.
What is the SMILES notation for 6-(3-fluoro-2-methyl-4-pyridinyl)-5-methoxy-N-(1-methylpiperidin-4-yl)-1H-indazol-3-amine?
The canonical SMILES for 6-(3-fluoro-2-methyl-4-pyridinyl)-5-methoxy-N-(1-methylpiperidin-4-yl)-1H-indazol-3-amine is COc1cc2c(NC3CCN(C)CC3)n[nH]c2cc1-c1ccnc(C)c1F.
What is the InChIKey of 6-(3-fluoro-2-methyl-4-pyridinyl)-5-methoxy-N-(1-methylpiperidin-4-yl)-1H-indazol-3-amine?
The InChIKey is JDWWBWZTNILPQF-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H24FN5O/c1-12-19(21)14(4-7-22-12)15-10-17-16(11-18(15)27-3)20(25-24-17)23-13-5-8-26(2)9-6-13/h4,7,10-11,13H,5-6,8-9H2,1-3H3,(H2,23,24,25).
What are the key properties of 6-(3-fluoro-2-methyl-4-pyridinyl)-5-methoxy-N-(1-methylpiperidin-4-yl)-1H-indazol-3-amine?
6-(3-fluoro-2-methyl-4-pyridinyl)-5-methoxy-N-(1-methylpiperidin-4-yl)-1H-indazol-3-amine has a molecular weight of 369.44 g/mol, XLogP of 3.59, 4 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 6-(3-fluoro-2-methyl-4-pyridinyl)-5-methoxy-N-(1-methylpiperidin-4-yl)-1H-indazol-3-amine is sourced from PubChem (CID 166635576), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).