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

C23H23F2N7O2 — CID 139431454

IUPAC6-fluoro-N-[5-fluoro-6-(1-methylpiperidin-4-yl)oxy-3-pyridinyl]-5-(1-methylpyrazol-4-yl)-1H-indazole-3-carboxamide
SMILESCN1CCC(Oc2ncc(NC(=O)c3n[nH]c4cc(F)c(-c5cnn(C)c5)cc34)cc2F)CC1
InChIInChI=1S/C23H23F2N7O2/c1-31-5-3-15(4-6-31)34-23-19(25)7-14(11-26-23)28-22(33)21-17-8-16(13-10-27-32(2)12-13)18(24)9-20(17)29-30-21/h7-12,15H,3-6H2,1-2H3,(H,28,33)(H,29,30)
InChIKeyWEFBBMYEQZMMIW-UHFFFAOYSA-N
MW467.48 g/mol
LogP3.36
Rot. Bonds5

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

6-fluoro-N-[5-fluoro-6-(1-methylpiperidin-4-yl)oxy-3-pyridinyl]-5-(1-methylpyrazol-4-yl)-1H-indazole-3-carboxamide (PubChem CID 139431454) has the molecular formula C23H23F2N7O2 and a molecular weight of 467.48 g/mol. Its IUPAC name is 6-fluoro-N-[5-fluoro-6-(1-methylpiperidin-4-yl)oxy-3-pyridinyl]-5-(1-methylpyrazol-4-yl)-1H-indazole-3-carboxamide.

Molecular Properties

Compound Name6-fluoro-N-[5-fluoro-6-(1-methylpiperidin-4-yl)oxy-3-pyridinyl]-5-(1-methylpyrazol-4-yl)-1H-indazole-3-carboxamide
PubChem CID139431454
Molecular FormulaC23H23F2N7O2
Molecular Weight467.48 g/mol
Exact Mass467.19
IUPAC Name6-fluoro-N-[5-fluoro-6-(1-methylpiperidin-4-yl)oxy-3-pyridinyl]-5-(1-methylpyrazol-4-yl)-1H-indazole-3-carboxamide
SMILESCN1CCC(Oc2ncc(NC(=O)c3n[nH]c4cc(F)c(-c5cnn(C)c5)cc34)cc2F)CC1
InChIInChI=1S/C23H23F2N7O2/c1-31-5-3-15(4-6-31)34-23-19(25)7-14(11-26-23)28-22(33)21-17-8-16(13-10-27-32(2)12-13)18(24)9-20(17)29-30-21/h7-12,15H,3-6H2,1-2H3,(H,28,33)(H,29,30)
InChIKeyWEFBBMYEQZMMIW-UHFFFAOYSA-N
XLogP3.36
TPSA100.96 Ų
H-Bond Donors2
H-Bond Acceptors7
Rotatable Bonds5
Heavy Atoms34
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500467.48
LogP ≤ 53.36
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 107

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Frequently Asked Questions

What is the IUPAC name of 6-fluoro-N-[5-fluoro-6-(1-methylpiperidin-4-yl)oxy-3-pyridinyl]-5-(1-methylpyrazol-4-yl)-1H-indazole-3-carboxamide?
The IUPAC name of 6-fluoro-N-[5-fluoro-6-(1-methylpiperidin-4-yl)oxy-3-pyridinyl]-5-(1-methylpyrazol-4-yl)-1H-indazole-3-carboxamide (CID 139431454) is 6-fluoro-N-[5-fluoro-6-(1-methylpiperidin-4-yl)oxy-3-pyridinyl]-5-(1-methylpyrazol-4-yl)-1H-indazole-3-carboxamide.
What is the SMILES notation for 6-fluoro-N-[5-fluoro-6-(1-methylpiperidin-4-yl)oxy-3-pyridinyl]-5-(1-methylpyrazol-4-yl)-1H-indazole-3-carboxamide?
The canonical SMILES for 6-fluoro-N-[5-fluoro-6-(1-methylpiperidin-4-yl)oxy-3-pyridinyl]-5-(1-methylpyrazol-4-yl)-1H-indazole-3-carboxamide is CN1CCC(Oc2ncc(NC(=O)c3n[nH]c4cc(F)c(-c5cnn(C)c5)cc34)cc2F)CC1.
What is the InChIKey of 6-fluoro-N-[5-fluoro-6-(1-methylpiperidin-4-yl)oxy-3-pyridinyl]-5-(1-methylpyrazol-4-yl)-1H-indazole-3-carboxamide?
The InChIKey is WEFBBMYEQZMMIW-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H23F2N7O2/c1-31-5-3-15(4-6-31)34-23-19(25)7-14(11-26-23)28-22(33)21-17-8-16(13-10-27-32(2)12-13)18(24)9-20(17)29-30-21/h7-12,15H,3-6H2,1-2H3,(H,28,33)(H,29,30).
What are the key properties of 6-fluoro-N-[5-fluoro-6-(1-methylpiperidin-4-yl)oxy-3-pyridinyl]-5-(1-methylpyrazol-4-yl)-1H-indazole-3-carboxamide?
6-fluoro-N-[5-fluoro-6-(1-methylpiperidin-4-yl)oxy-3-pyridinyl]-5-(1-methylpyrazol-4-yl)-1H-indazole-3-carboxamide has a molecular weight of 467.48 g/mol, XLogP of 3.36, 5 rotatable bonds, 2 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 6-fluoro-N-[5-fluoro-6-(1-methylpiperidin-4-yl)oxy-3-pyridinyl]-5-(1-methylpyrazol-4-yl)-1H-indazole-3-carboxamide is sourced from PubChem (CID 139431454), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).