6-fluoro-N-[3-(1-methylpiperidin-4-yl)oxyphenyl]-5-(1-methylpyrazol-4-yl)-1H-indazole-3-carboxamide

C24H25FN6O2 — CID 139431546

IUPAC6-fluoro-N-[3-(1-methylpiperidin-4-yl)oxyphenyl]-5-(1-methylpyrazol-4-yl)-1H-indazole-3-carboxamide
SMILESCN1CCC(Oc2cccc(NC(=O)c3n[nH]c4cc(F)c(-c5cnn(C)c5)cc34)c2)CC1
InChIInChI=1S/C24H25FN6O2/c1-30-8-6-17(7-9-30)33-18-5-3-4-16(10-18)27-24(32)23-20-11-19(15-13-26-31(2)14-15)21(25)12-22(20)28-29-23/h3-5,10-14,17H,6-9H2,1-2H3,(H,27,32)(H,28,29)
InChIKeyQLFJTKPNWCCMLI-UHFFFAOYSA-N
MW448.50 g/mol
LogP3.83
Rot. Bonds5

About 6-fluoro-N-[3-(1-methylpiperidin-4-yl)oxyphenyl]-5-(1-methylpyrazol-4-yl)-1H-indazole-3-carboxamide

6-fluoro-N-[3-(1-methylpiperidin-4-yl)oxyphenyl]-5-(1-methylpyrazol-4-yl)-1H-indazole-3-carboxamide (PubChem CID 139431546) has the molecular formula C24H25FN6O2 and a molecular weight of 448.50 g/mol. Its IUPAC name is 6-fluoro-N-[3-(1-methylpiperidin-4-yl)oxyphenyl]-5-(1-methylpyrazol-4-yl)-1H-indazole-3-carboxamide.

Molecular Properties

Compound Name6-fluoro-N-[3-(1-methylpiperidin-4-yl)oxyphenyl]-5-(1-methylpyrazol-4-yl)-1H-indazole-3-carboxamide
PubChem CID139431546
Molecular FormulaC24H25FN6O2
Molecular Weight448.50 g/mol
Exact Mass448.20
IUPAC Name6-fluoro-N-[3-(1-methylpiperidin-4-yl)oxyphenyl]-5-(1-methylpyrazol-4-yl)-1H-indazole-3-carboxamide
SMILESCN1CCC(Oc2cccc(NC(=O)c3n[nH]c4cc(F)c(-c5cnn(C)c5)cc34)c2)CC1
InChIInChI=1S/C24H25FN6O2/c1-30-8-6-17(7-9-30)33-18-5-3-4-16(10-18)27-24(32)23-20-11-19(15-13-26-31(2)14-15)21(25)12-22(20)28-29-23/h3-5,10-14,17H,6-9H2,1-2H3,(H,27,32)(H,28,29)
InChIKeyQLFJTKPNWCCMLI-UHFFFAOYSA-N
XLogP3.83
TPSA88.07 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms33
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500448.50
LogP ≤ 53.83
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of 6-fluoro-N-[3-(1-methylpiperidin-4-yl)oxyphenyl]-5-(1-methylpyrazol-4-yl)-1H-indazole-3-carboxamide?
The IUPAC name of 6-fluoro-N-[3-(1-methylpiperidin-4-yl)oxyphenyl]-5-(1-methylpyrazol-4-yl)-1H-indazole-3-carboxamide (CID 139431546) is 6-fluoro-N-[3-(1-methylpiperidin-4-yl)oxyphenyl]-5-(1-methylpyrazol-4-yl)-1H-indazole-3-carboxamide.
What is the SMILES notation for 6-fluoro-N-[3-(1-methylpiperidin-4-yl)oxyphenyl]-5-(1-methylpyrazol-4-yl)-1H-indazole-3-carboxamide?
The canonical SMILES for 6-fluoro-N-[3-(1-methylpiperidin-4-yl)oxyphenyl]-5-(1-methylpyrazol-4-yl)-1H-indazole-3-carboxamide is CN1CCC(Oc2cccc(NC(=O)c3n[nH]c4cc(F)c(-c5cnn(C)c5)cc34)c2)CC1.
What is the InChIKey of 6-fluoro-N-[3-(1-methylpiperidin-4-yl)oxyphenyl]-5-(1-methylpyrazol-4-yl)-1H-indazole-3-carboxamide?
The InChIKey is QLFJTKPNWCCMLI-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H25FN6O2/c1-30-8-6-17(7-9-30)33-18-5-3-4-16(10-18)27-24(32)23-20-11-19(15-13-26-31(2)14-15)21(25)12-22(20)28-29-23/h3-5,10-14,17H,6-9H2,1-2H3,(H,27,32)(H,28,29).
What are the key properties of 6-fluoro-N-[3-(1-methylpiperidin-4-yl)oxyphenyl]-5-(1-methylpyrazol-4-yl)-1H-indazole-3-carboxamide?
6-fluoro-N-[3-(1-methylpiperidin-4-yl)oxyphenyl]-5-(1-methylpyrazol-4-yl)-1H-indazole-3-carboxamide has a molecular weight of 448.50 g/mol, XLogP of 3.83, 5 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 6-fluoro-N-[3-(1-methylpiperidin-4-yl)oxyphenyl]-5-(1-methylpyrazol-4-yl)-1H-indazole-3-carboxamide is sourced from PubChem (CID 139431546), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).