5-[5-[(4,4-difluoropiperidin-1-yl)methyl]-3-pyridinyl]-N-[6-(3-fluorophenoxy)-3-pyridinyl]-1H-indazole-3-carboxamide;5-[5-[(3,3-difluoropyrrolidin-1-yl)methyl]-3-pyridinyl]-N-[6-(3-fluorophenoxy)-3-pyridinyl]-1H-indazole-3-carboxamide;N-[6-(3-fluorophenoxy)-3-pyridinyl]-5-(5-piperidin-1-yl-3-pyridinyl)-1H-indazole-3-carboxamide;N-[6-(3-fluorophenoxy)-3-pyridinyl]-5-(5-pyrrolidin-1-yl-3-pyridinyl)-1H-indazole-3-carboxamide

C116H96F8N24O8 — CID 159561195

IUPAC5-[5-[(4,4-difluoropiperidin-1-yl)methyl]-3-pyridinyl]-N-[6-(3-fluorophenoxy)-3-pyridinyl]-1H-indazole-3-carboxamide;5-[5-[(3,3-difluoropyrrolidin-1-yl)methyl]-3-pyridinyl]-N-[6-(3-fluorophenoxy)-3-pyridinyl]-1H-indazole-3-carboxamide;N-[6-(3-fluorophenoxy)-3-pyridinyl]-5-(5-piperidin-1-yl-3-pyridinyl)-1H-indazole-3-carboxamide;N-[6-(3-fluorophenoxy)-3-pyridinyl]-5-(5-pyrrolidin-1-yl-3-pyridinyl)-1H-indazole-3-carboxamide
SMILESO=C(Nc1ccc(Oc2cccc(F)c2)nc1)c1n[nH]c2ccc(-c3cncc(CN4CCC(F)(F)C4)c3)cc12.O=C(Nc1ccc(Oc2cccc(F)c2)nc1)c1n[nH]c2ccc(-c3cncc(CN4CCC(F)(F)CC4)c3)cc12.O=C(Nc1ccc(Oc2cccc(F)c2)nc1)c1n[nH]c2ccc(-c3cncc(N4CCCC4)c3)cc12.O=C(Nc1ccc(Oc2cccc(F)c2)nc1)c1n[nH]c2ccc(-c3cncc(N4CCCCC4)c3)cc12
InChIInChI=1S/C30H25F3N6O2.C29H23F3N6O2.C29H25FN6O2.C28H23FN6O2/c31-22-2-1-3-24(14-22)41-27-7-5-23(17-35-27)36-29(40)28-25-13-20(4-6-26(25)37-38-28)21-12-19(15-34-16-21)18-39-10-8-30(32,33)9-11-39;30-21-2-1-3-23(12-21)40-26-7-5-22(15-34-26)35-28(39)27-24-11-19(4-6-25(24)36-37-27)20-10-18(13-33-14-20)16-38-9-8-29(31,32)17-38;30-21-5-4-6-24(15-21)38-27-10-8-22(17-32-27)33-29(37)28-25-14-19(7-9-26(25)34-35-28)20-13-23(18-31-16-20)36-11-2-1-3-12-36;29-20-4-3-5-23(14-20)37-26-9-7-21(16-31-26)32-28(36)27-24-13-18(6-8-25(24)33-34-27)19-12-22(17-30-15-19)35-10-1-2-11-35/h1-7,12-17H,8-11,18H2,(H,36,40)(H,37,38);1-7,10-15H,8-9,16-17H2,(H,35,39)(H,36,37);4-10,13-18H,1-3,11-12H2,(H,33,37)(H,34,35);3-9,12-17H,1-2,10-11H2,(H,32,36)(H,33,34)
InChIKeyMGQLVOFOYIDYAR-UHFFFAOYSA-N
MW2106.19 g/mol
LogP24.48
Rot. Bonds26

About 5-[5-[(4,4-difluoropiperidin-1-yl)methyl]-3-pyridinyl]-N-[6-(3-fluorophenoxy)-3-pyridinyl]-1H-indazole-3-carboxamide;5-[5-[(3,3-difluoropyrrolidin-1-yl)methyl]-3-pyridinyl]-N-[6-(3-fluorophenoxy)-3-pyridinyl]-1H-indazole-3-carboxamide;N-[6-(3-fluorophenoxy)-3-pyridinyl]-5-(5-piperidin-1-yl-3-pyridinyl)-1H-indazole-3-carboxamide;N-[6-(3-fluorophenoxy)-3-pyridinyl]-5-(5-pyrrolidin-1-yl-3-pyridinyl)-1H-indazole-3-carboxamide

5-[5-[(4,4-difluoropiperidin-1-yl)methyl]-3-pyridinyl]-N-[6-(3-fluorophenoxy)-3-pyridinyl]-1H-indazole-3-carboxamide;5-[5-[(3,3-difluoropyrrolidin-1-yl)methyl]-3-pyridinyl]-N-[6-(3-fluorophenoxy)-3-pyridinyl]-1H-indazole-3-carboxamide;N-[6-(3-fluorophenoxy)-3-pyridinyl]-5-(5-piperidin-1-yl-3-pyridinyl)-1H-indazole-3-carboxamide;N-[6-(3-fluorophenoxy)-3-pyridinyl]-5-(5-pyrrolidin-1-yl-3-pyridinyl)-1H-indazole-3-carboxamide (PubChem CID 159561195) has the molecular formula C116H96F8N24O8 and a molecular weight of 2106.19 g/mol. Its IUPAC name is 5-[5-[(4,4-difluoropiperidin-1-yl)methyl]-3-pyridinyl]-N-[6-(3-fluorophenoxy)-3-pyridinyl]-1H-indazole-3-carboxamide;5-[5-[(3,3-difluoropyrrolidin-1-yl)methyl]-3-pyridinyl]-N-[6-(3-fluorophenoxy)-3-pyridinyl]-1H-indazole-3-carboxamide;N-[6-(3-fluorophenoxy)-3-pyridinyl]-5-(5-piperidin-1-yl-3-pyridinyl)-1H-indazole-3-carboxamide;N-[6-(3-fluorophenoxy)-3-pyridinyl]-5-(5-pyrrolidin-1-yl-3-pyridinyl)-1H-indazole-3-carboxamide.

Molecular Properties

Compound Name5-[5-[(4,4-difluoropiperidin-1-yl)methyl]-3-pyridinyl]-N-[6-(3-fluorophenoxy)-3-pyridinyl]-1H-indazole-3-carboxamide;5-[5-[(3,3-difluoropyrrolidin-1-yl)methyl]-3-pyridinyl]-N-[6-(3-fluorophenoxy)-3-pyridinyl]-1H-indazole-3-carboxamide;N-[6-(3-fluorophenoxy)-3-pyridinyl]-5-(5-piperidin-1-yl-3-pyridinyl)-1H-indazole-3-carboxamide;N-[6-(3-fluorophenoxy)-3-pyridinyl]-5-(5-pyrrolidin-1-yl-3-pyridinyl)-1H-indazole-3-carboxamide
PubChem CID159561195
Molecular FormulaC116H96F8N24O8
Molecular Weight2106.19 g/mol
Exact Mass2104.77
IUPAC Name5-[5-[(4,4-difluoropiperidin-1-yl)methyl]-3-pyridinyl]-N-[6-(3-fluorophenoxy)-3-pyridinyl]-1H-indazole-3-carboxamide;5-[5-[(3,3-difluoropyrrolidin-1-yl)methyl]-3-pyridinyl]-N-[6-(3-fluorophenoxy)-3-pyridinyl]-1H-indazole-3-carboxamide;N-[6-(3-fluorophenoxy)-3-pyridinyl]-5-(5-piperidin-1-yl-3-pyridinyl)-1H-indazole-3-carboxamide;N-[6-(3-fluorophenoxy)-3-pyridinyl]-5-(5-pyrrolidin-1-yl-3-pyridinyl)-1H-indazole-3-carboxamide
SMILESO=C(Nc1ccc(Oc2cccc(F)c2)nc1)c1n[nH]c2ccc(-c3cncc(CN4CCC(F)(F)C4)c3)cc12.O=C(Nc1ccc(Oc2cccc(F)c2)nc1)c1n[nH]c2ccc(-c3cncc(CN4CCC(F)(F)CC4)c3)cc12.O=C(Nc1ccc(Oc2cccc(F)c2)nc1)c1n[nH]c2ccc(-c3cncc(N4CCCC4)c3)cc12.O=C(Nc1ccc(Oc2cccc(F)c2)nc1)c1n[nH]c2ccc(-c3cncc(N4CCCCC4)c3)cc12
InChIInChI=1S/C30H25F3N6O2.C29H23F3N6O2.C29H25FN6O2.C28H23FN6O2/c31-22-2-1-3-24(14-22)41-27-7-5-23(17-35-27)36-29(40)28-25-13-20(4-6-26(25)37-38-28)21-12-19(15-34-16-21)18-39-10-8-30(32,33)9-11-39;30-21-2-1-3-23(12-21)40-26-7-5-22(15-34-26)35-28(39)27-24-11-19(4-6-25(24)36-37-27)20-10-18(13-33-14-20)16-38-9-8-29(31,32)17-38;30-21-5-4-6-24(15-21)38-27-10-8-22(17-32-27)33-29(37)28-25-14-19(7-9-26(25)34-35-28)20-13-23(18-31-16-20)36-11-2-1-3-12-36;29-20-4-3-5-23(14-20)37-26-9-7-21(16-31-26)32-28(36)27-24-13-18(6-8-25(24)33-34-27)19-12-22(17-30-15-19)35-10-1-2-11-35/h1-7,12-17H,8-11,18H2,(H,36,40)(H,37,38);1-7,10-15H,8-9,16-17H2,(H,35,39)(H,36,37);4-10,13-18H,1-3,11-12H2,(H,33,37)(H,34,35);3-9,12-17H,1-2,10-11H2,(H,32,36)(H,33,34)
InChIKeyMGQLVOFOYIDYAR-UHFFFAOYSA-N
XLogP24.48
TPSA384.12 Ų
H-Bond Donors8
H-Bond Acceptors24
Rotatable Bonds26
Heavy Atoms156
Complexity

Lipinski Rule of Five

4 violations

RuleValue
MW ≤ 5002106.19
LogP ≤ 524.48
H-Bond Donors ≤ 58
H-Bond Acceptors ≤ 1024

Analyze 5-[5-[(4,4-difluoropiperidin-1-yl)methyl]-3-pyridinyl]-N-[6-(3-fluorophenoxy)-3-pyridinyl]-1H-indazole-3-carboxamide;5-[5-[(3,3-difluoropyrrolidin-1-yl)methyl]-3-pyridinyl]-N-[6-(3-fluorophenoxy)-3-pyridinyl]-1H-indazole-3-carboxamide;N-[6-(3-fluorophenoxy)-3-pyridinyl]-5-(5-piperidin-1-yl-3-pyridinyl)-1H-indazole-3-carboxamide;N-[6-(3-fluorophenoxy)-3-pyridinyl]-5-(5-pyrrolidin-1-yl-3-pyridinyl)-1H-indazole-3-carboxamide with MolForge

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Frequently Asked Questions

What is the IUPAC name of 5-[5-[(4,4-difluoropiperidin-1-yl)methyl]-3-pyridinyl]-N-[6-(3-fluorophenoxy)-3-pyridinyl]-1H-indazole-3-carboxamide;5-[5-[(3,3-difluoropyrrolidin-1-yl)methyl]-3-pyridinyl]-N-[6-(3-fluorophenoxy)-3-pyridinyl]-1H-indazole-3-carboxamide;N-[6-(3-fluorophenoxy)-3-pyridinyl]-5-(5-piperidin-1-yl-3-pyridinyl)-1H-indazole-3-carboxamide;N-[6-(3-fluorophenoxy)-3-pyridinyl]-5-(5-pyrrolidin-1-yl-3-pyridinyl)-1H-indazole-3-carboxamide?
The IUPAC name of 5-[5-[(4,4-difluoropiperidin-1-yl)methyl]-3-pyridinyl]-N-[6-(3-fluorophenoxy)-3-pyridinyl]-1H-indazole-3-carboxamide;5-[5-[(3,3-difluoropyrrolidin-1-yl)methyl]-3-pyridinyl]-N-[6-(3-fluorophenoxy)-3-pyridinyl]-1H-indazole-3-carboxamide;N-[6-(3-fluorophenoxy)-3-pyridinyl]-5-(5-piperidin-1-yl-3-pyridinyl)-1H-indazole-3-carboxamide;N-[6-(3-fluorophenoxy)-3-pyridinyl]-5-(5-pyrrolidin-1-yl-3-pyridinyl)-1H-indazole-3-carboxamide (CID 159561195) is 5-[5-[(4,4-difluoropiperidin-1-yl)methyl]-3-pyridinyl]-N-[6-(3-fluorophenoxy)-3-pyridinyl]-1H-indazole-3-carboxamide;5-[5-[(3,3-difluoropyrrolidin-1-yl)methyl]-3-pyridinyl]-N-[6-(3-fluorophenoxy)-3-pyridinyl]-1H-indazole-3-carboxamide;N-[6-(3-fluorophenoxy)-3-pyridinyl]-5-(5-piperidin-1-yl-3-pyridinyl)-1H-indazole-3-carboxamide;N-[6-(3-fluorophenoxy)-3-pyridinyl]-5-(5-pyrrolidin-1-yl-3-pyridinyl)-1H-indazole-3-carboxamide.
What is the SMILES notation for 5-[5-[(4,4-difluoropiperidin-1-yl)methyl]-3-pyridinyl]-N-[6-(3-fluorophenoxy)-3-pyridinyl]-1H-indazole-3-carboxamide;5-[5-[(3,3-difluoropyrrolidin-1-yl)methyl]-3-pyridinyl]-N-[6-(3-fluorophenoxy)-3-pyridinyl]-1H-indazole-3-carboxamide;N-[6-(3-fluorophenoxy)-3-pyridinyl]-5-(5-piperidin-1-yl-3-pyridinyl)-1H-indazole-3-carboxamide;N-[6-(3-fluorophenoxy)-3-pyridinyl]-5-(5-pyrrolidin-1-yl-3-pyridinyl)-1H-indazole-3-carboxamide?
The canonical SMILES for 5-[5-[(4,4-difluoropiperidin-1-yl)methyl]-3-pyridinyl]-N-[6-(3-fluorophenoxy)-3-pyridinyl]-1H-indazole-3-carboxamide;5-[5-[(3,3-difluoropyrrolidin-1-yl)methyl]-3-pyridinyl]-N-[6-(3-fluorophenoxy)-3-pyridinyl]-1H-indazole-3-carboxamide;N-[6-(3-fluorophenoxy)-3-pyridinyl]-5-(5-piperidin-1-yl-3-pyridinyl)-1H-indazole-3-carboxamide;N-[6-(3-fluorophenoxy)-3-pyridinyl]-5-(5-pyrrolidin-1-yl-3-pyridinyl)-1H-indazole-3-carboxamide is O=C(Nc1ccc(Oc2cccc(F)c2)nc1)c1n[nH]c2ccc(-c3cncc(CN4CCC(F)(F)C4)c3)cc12.O=C(Nc1ccc(Oc2cccc(F)c2)nc1)c1n[nH]c2ccc(-c3cncc(CN4CCC(F)(F)CC4)c3)cc12.O=C(Nc1ccc(Oc2cccc(F)c2)nc1)c1n[nH]c2ccc(-c3cncc(N4CCCC4)c3)cc12.O=C(Nc1ccc(Oc2cccc(F)c2)nc1)c1n[nH]c2ccc(-c3cncc(N4CCCCC4)c3)cc12.
What is the InChIKey of 5-[5-[(4,4-difluoropiperidin-1-yl)methyl]-3-pyridinyl]-N-[6-(3-fluorophenoxy)-3-pyridinyl]-1H-indazole-3-carboxamide;5-[5-[(3,3-difluoropyrrolidin-1-yl)methyl]-3-pyridinyl]-N-[6-(3-fluorophenoxy)-3-pyridinyl]-1H-indazole-3-carboxamide;N-[6-(3-fluorophenoxy)-3-pyridinyl]-5-(5-piperidin-1-yl-3-pyridinyl)-1H-indazole-3-carboxamide;N-[6-(3-fluorophenoxy)-3-pyridinyl]-5-(5-pyrrolidin-1-yl-3-pyridinyl)-1H-indazole-3-carboxamide?
The InChIKey is MGQLVOFOYIDYAR-UHFFFAOYSA-N. The full InChI is InChI=1S/C30H25F3N6O2.C29H23F3N6O2.C29H25FN6O2.C28H23FN6O2/c31-22-2-1-3-24(14-22)41-27-7-5-23(17-35-27)36-29(40)28-25-13-20(4-6-26(25)37-38-28)21-12-19(15-34-16-21)18-39-10-8-30(32,33)9-11-39;30-21-2-1-3-23(12-21)40-26-7-5-22(15-34-26)35-28(39)27-24-11-19(4-6-25(24)36-37-27)20-10-18(13-33-14-20)16-38-9-8-29(31,32)17-38;30-21-5-4-6-24(15-21)38-27-10-8-22(17-32-27)33-29(37)28-25-14-19(7-9-26(25)34-35-28)20-13-23(18-31-16-20)36-11-2-1-3-12-36;29-20-4-3-5-23(14-20)37-26-9-7-21(16-31-26)32-28(36)27-24-13-18(6-8-25(24)33-34-27)19-12-22(17-30-15-19)35-10-1-2-11-35/h1-7,12-17H,8-11,18H2,(H,36,40)(H,37,38);1-7,10-15H,8-9,16-17H2,(H,35,39)(H,36,37);4-10,13-18H,1-3,11-12H2,(H,33,37)(H,34,35);3-9,12-17H,1-2,10-11H2,(H,32,36)(H,33,34).
What are the key properties of 5-[5-[(4,4-difluoropiperidin-1-yl)methyl]-3-pyridinyl]-N-[6-(3-fluorophenoxy)-3-pyridinyl]-1H-indazole-3-carboxamide;5-[5-[(3,3-difluoropyrrolidin-1-yl)methyl]-3-pyridinyl]-N-[6-(3-fluorophenoxy)-3-pyridinyl]-1H-indazole-3-carboxamide;N-[6-(3-fluorophenoxy)-3-pyridinyl]-5-(5-piperidin-1-yl-3-pyridinyl)-1H-indazole-3-carboxamide;N-[6-(3-fluorophenoxy)-3-pyridinyl]-5-(5-pyrrolidin-1-yl-3-pyridinyl)-1H-indazole-3-carboxamide?
5-[5-[(4,4-difluoropiperidin-1-yl)methyl]-3-pyridinyl]-N-[6-(3-fluorophenoxy)-3-pyridinyl]-1H-indazole-3-carboxamide;5-[5-[(3,3-difluoropyrrolidin-1-yl)methyl]-3-pyridinyl]-N-[6-(3-fluorophenoxy)-3-pyridinyl]-1H-indazole-3-carboxamide;N-[6-(3-fluorophenoxy)-3-pyridinyl]-5-(5-piperidin-1-yl-3-pyridinyl)-1H-indazole-3-carboxamide;N-[6-(3-fluorophenoxy)-3-pyridinyl]-5-(5-pyrrolidin-1-yl-3-pyridinyl)-1H-indazole-3-carboxamide has a molecular weight of 2106.19 g/mol, XLogP of 24.48, 26 rotatable bonds, 8 hydrogen bond donors, and 24 hydrogen bond acceptors.
Where does this data come from?
All data for 5-[5-[(4,4-difluoropiperidin-1-yl)methyl]-3-pyridinyl]-N-[6-(3-fluorophenoxy)-3-pyridinyl]-1H-indazole-3-carboxamide;5-[5-[(3,3-difluoropyrrolidin-1-yl)methyl]-3-pyridinyl]-N-[6-(3-fluorophenoxy)-3-pyridinyl]-1H-indazole-3-carboxamide;N-[6-(3-fluorophenoxy)-3-pyridinyl]-5-(5-piperidin-1-yl-3-pyridinyl)-1H-indazole-3-carboxamide;N-[6-(3-fluorophenoxy)-3-pyridinyl]-5-(5-pyrrolidin-1-yl-3-pyridinyl)-1H-indazole-3-carboxamide is sourced from PubChem (CID 159561195), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).