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

C25H27FN6O3 — CID 139431483

IUPAC6-fluoro-5-[3-(hydroxymethyl)-1-methylpyrazol-4-yl]-N-[4-(1-methylpiperidin-4-yl)oxyphenyl]-1H-indazole-3-carboxamide
SMILESCN1CCC(Oc2ccc(NC(=O)c3n[nH]c4cc(F)c(-c5cn(C)nc5CO)cc34)cc2)CC1
InChIInChI=1S/C25H27FN6O3/c1-31-9-7-17(8-10-31)35-16-5-3-15(4-6-16)27-25(34)24-19-11-18(21(26)12-22(19)28-29-24)20-13-32(2)30-23(20)14-33/h3-6,11-13,17,33H,7-10,14H2,1-2H3,(H,27,34)(H,28,29)
InChIKeyGDYUDVSRUOXRMJ-UHFFFAOYSA-N
MW478.53 g/mol
LogP3.32
Rot. Bonds6

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

6-fluoro-5-[3-(hydroxymethyl)-1-methylpyrazol-4-yl]-N-[4-(1-methylpiperidin-4-yl)oxyphenyl]-1H-indazole-3-carboxamide (PubChem CID 139431483) has the molecular formula C25H27FN6O3 and a molecular weight of 478.53 g/mol. Its IUPAC name is 6-fluoro-5-[3-(hydroxymethyl)-1-methylpyrazol-4-yl]-N-[4-(1-methylpiperidin-4-yl)oxyphenyl]-1H-indazole-3-carboxamide.

Molecular Properties

Compound Name6-fluoro-5-[3-(hydroxymethyl)-1-methylpyrazol-4-yl]-N-[4-(1-methylpiperidin-4-yl)oxyphenyl]-1H-indazole-3-carboxamide
PubChem CID139431483
Molecular FormulaC25H27FN6O3
Molecular Weight478.53 g/mol
Exact Mass478.21
IUPAC Name6-fluoro-5-[3-(hydroxymethyl)-1-methylpyrazol-4-yl]-N-[4-(1-methylpiperidin-4-yl)oxyphenyl]-1H-indazole-3-carboxamide
SMILESCN1CCC(Oc2ccc(NC(=O)c3n[nH]c4cc(F)c(-c5cn(C)nc5CO)cc34)cc2)CC1
InChIInChI=1S/C25H27FN6O3/c1-31-9-7-17(8-10-31)35-16-5-3-15(4-6-16)27-25(34)24-19-11-18(21(26)12-22(19)28-29-24)20-13-32(2)30-23(20)14-33/h3-6,11-13,17,33H,7-10,14H2,1-2H3,(H,27,34)(H,28,29)
InChIKeyGDYUDVSRUOXRMJ-UHFFFAOYSA-N
XLogP3.32
TPSA108.30 Ų
H-Bond Donors3
H-Bond Acceptors7
Rotatable Bonds6
Heavy Atoms35
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500478.53
LogP ≤ 53.32
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 107

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Frequently Asked Questions

What is the IUPAC name of 6-fluoro-5-[3-(hydroxymethyl)-1-methylpyrazol-4-yl]-N-[4-(1-methylpiperidin-4-yl)oxyphenyl]-1H-indazole-3-carboxamide?
The IUPAC name of 6-fluoro-5-[3-(hydroxymethyl)-1-methylpyrazol-4-yl]-N-[4-(1-methylpiperidin-4-yl)oxyphenyl]-1H-indazole-3-carboxamide (CID 139431483) is 6-fluoro-5-[3-(hydroxymethyl)-1-methylpyrazol-4-yl]-N-[4-(1-methylpiperidin-4-yl)oxyphenyl]-1H-indazole-3-carboxamide.
What is the SMILES notation for 6-fluoro-5-[3-(hydroxymethyl)-1-methylpyrazol-4-yl]-N-[4-(1-methylpiperidin-4-yl)oxyphenyl]-1H-indazole-3-carboxamide?
The canonical SMILES for 6-fluoro-5-[3-(hydroxymethyl)-1-methylpyrazol-4-yl]-N-[4-(1-methylpiperidin-4-yl)oxyphenyl]-1H-indazole-3-carboxamide is CN1CCC(Oc2ccc(NC(=O)c3n[nH]c4cc(F)c(-c5cn(C)nc5CO)cc34)cc2)CC1.
What is the InChIKey of 6-fluoro-5-[3-(hydroxymethyl)-1-methylpyrazol-4-yl]-N-[4-(1-methylpiperidin-4-yl)oxyphenyl]-1H-indazole-3-carboxamide?
The InChIKey is GDYUDVSRUOXRMJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H27FN6O3/c1-31-9-7-17(8-10-31)35-16-5-3-15(4-6-16)27-25(34)24-19-11-18(21(26)12-22(19)28-29-24)20-13-32(2)30-23(20)14-33/h3-6,11-13,17,33H,7-10,14H2,1-2H3,(H,27,34)(H,28,29).
What are the key properties of 6-fluoro-5-[3-(hydroxymethyl)-1-methylpyrazol-4-yl]-N-[4-(1-methylpiperidin-4-yl)oxyphenyl]-1H-indazole-3-carboxamide?
6-fluoro-5-[3-(hydroxymethyl)-1-methylpyrazol-4-yl]-N-[4-(1-methylpiperidin-4-yl)oxyphenyl]-1H-indazole-3-carboxamide has a molecular weight of 478.53 g/mol, XLogP of 3.32, 6 rotatable bonds, 3 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 6-fluoro-5-[3-(hydroxymethyl)-1-methylpyrazol-4-yl]-N-[4-(1-methylpiperidin-4-yl)oxyphenyl]-1H-indazole-3-carboxamide is sourced from PubChem (CID 139431483), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).