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

C24H23F3N6O2 — CID 139431475

IUPAC5-[1-(difluoromethyl)pyrazol-4-yl]-6-fluoro-N-[4-(1-methylpiperidin-4-yl)oxyphenyl]-1H-indazole-3-carboxamide
SMILESCN1CCC(Oc2ccc(NC(=O)c3n[nH]c4cc(F)c(-c5cnn(C(F)F)c5)cc34)cc2)CC1
InChIInChI=1S/C24H23F3N6O2/c1-32-8-6-17(7-9-32)35-16-4-2-15(3-5-16)29-23(34)22-19-10-18(20(25)11-21(19)30-31-22)14-12-28-33(13-14)24(26)27/h2-5,10-13,17,24H,6-9H2,1H3,(H,29,34)(H,30,31)
InChIKeyBBCJEXFRTLJPTP-UHFFFAOYSA-N
MW484.48 g/mol
LogP4.69
Rot. Bonds6

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

5-[1-(difluoromethyl)pyrazol-4-yl]-6-fluoro-N-[4-(1-methylpiperidin-4-yl)oxyphenyl]-1H-indazole-3-carboxamide (PubChem CID 139431475) has the molecular formula C24H23F3N6O2 and a molecular weight of 484.48 g/mol. Its IUPAC name is 5-[1-(difluoromethyl)pyrazol-4-yl]-6-fluoro-N-[4-(1-methylpiperidin-4-yl)oxyphenyl]-1H-indazole-3-carboxamide.

Molecular Properties

Compound Name5-[1-(difluoromethyl)pyrazol-4-yl]-6-fluoro-N-[4-(1-methylpiperidin-4-yl)oxyphenyl]-1H-indazole-3-carboxamide
PubChem CID139431475
Molecular FormulaC24H23F3N6O2
Molecular Weight484.48 g/mol
Exact Mass484.18
IUPAC Name5-[1-(difluoromethyl)pyrazol-4-yl]-6-fluoro-N-[4-(1-methylpiperidin-4-yl)oxyphenyl]-1H-indazole-3-carboxamide
SMILESCN1CCC(Oc2ccc(NC(=O)c3n[nH]c4cc(F)c(-c5cnn(C(F)F)c5)cc34)cc2)CC1
InChIInChI=1S/C24H23F3N6O2/c1-32-8-6-17(7-9-32)35-16-4-2-15(3-5-16)29-23(34)22-19-10-18(20(25)11-21(19)30-31-22)14-12-28-33(13-14)24(26)27/h2-5,10-13,17,24H,6-9H2,1H3,(H,29,34)(H,30,31)
InChIKeyBBCJEXFRTLJPTP-UHFFFAOYSA-N
XLogP4.69
TPSA88.07 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds6
Heavy Atoms35
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500484.48
LogP ≤ 54.69
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of 5-[1-(difluoromethyl)pyrazol-4-yl]-6-fluoro-N-[4-(1-methylpiperidin-4-yl)oxyphenyl]-1H-indazole-3-carboxamide?
The IUPAC name of 5-[1-(difluoromethyl)pyrazol-4-yl]-6-fluoro-N-[4-(1-methylpiperidin-4-yl)oxyphenyl]-1H-indazole-3-carboxamide (CID 139431475) is 5-[1-(difluoromethyl)pyrazol-4-yl]-6-fluoro-N-[4-(1-methylpiperidin-4-yl)oxyphenyl]-1H-indazole-3-carboxamide.
What is the SMILES notation for 5-[1-(difluoromethyl)pyrazol-4-yl]-6-fluoro-N-[4-(1-methylpiperidin-4-yl)oxyphenyl]-1H-indazole-3-carboxamide?
The canonical SMILES for 5-[1-(difluoromethyl)pyrazol-4-yl]-6-fluoro-N-[4-(1-methylpiperidin-4-yl)oxyphenyl]-1H-indazole-3-carboxamide is CN1CCC(Oc2ccc(NC(=O)c3n[nH]c4cc(F)c(-c5cnn(C(F)F)c5)cc34)cc2)CC1.
What is the InChIKey of 5-[1-(difluoromethyl)pyrazol-4-yl]-6-fluoro-N-[4-(1-methylpiperidin-4-yl)oxyphenyl]-1H-indazole-3-carboxamide?
The InChIKey is BBCJEXFRTLJPTP-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H23F3N6O2/c1-32-8-6-17(7-9-32)35-16-4-2-15(3-5-16)29-23(34)22-19-10-18(20(25)11-21(19)30-31-22)14-12-28-33(13-14)24(26)27/h2-5,10-13,17,24H,6-9H2,1H3,(H,29,34)(H,30,31).
What are the key properties of 5-[1-(difluoromethyl)pyrazol-4-yl]-6-fluoro-N-[4-(1-methylpiperidin-4-yl)oxyphenyl]-1H-indazole-3-carboxamide?
5-[1-(difluoromethyl)pyrazol-4-yl]-6-fluoro-N-[4-(1-methylpiperidin-4-yl)oxyphenyl]-1H-indazole-3-carboxamide has a molecular weight of 484.48 g/mol, XLogP of 4.69, 6 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 5-[1-(difluoromethyl)pyrazol-4-yl]-6-fluoro-N-[4-(1-methylpiperidin-4-yl)oxyphenyl]-1H-indazole-3-carboxamide is sourced from PubChem (CID 139431475), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).