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

C120H108F4N24O8 — CID 160604563

IUPAC5-[5-[(4,4-difluoropiperidin-1-yl)methyl]-3-pyridinyl]-N-[6-(3-methylphenoxy)-3-pyridinyl]-1H-indazole-3-carboxamide;5-[5-[(3,3-difluoropyrrolidin-1-yl)methyl]-3-pyridinyl]-N-[6-(3-methylphenoxy)-3-pyridinyl]-1H-indazole-3-carboxamide;N-[6-(3-methylphenoxy)-3-pyridinyl]-5-(5-piperidin-1-yl-3-pyridinyl)-1H-indazole-3-carboxamide;N-[6-(3-methylphenoxy)-3-pyridinyl]-5-(5-pyrrolidin-1-yl-3-pyridinyl)-1H-indazole-3-carboxamide
SMILESCc1cccc(Oc2ccc(NC(=O)c3n[nH]c4ccc(-c5cncc(CN6CCC(F)(F)C6)c5)cc34)cn2)c1.Cc1cccc(Oc2ccc(NC(=O)c3n[nH]c4ccc(-c5cncc(CN6CCC(F)(F)CC6)c5)cc34)cn2)c1.Cc1cccc(Oc2ccc(NC(=O)c3n[nH]c4ccc(-c5cncc(N6CCCC6)c5)cc34)cn2)c1.Cc1cccc(Oc2ccc(NC(=O)c3n[nH]c4ccc(-c5cncc(N6CCCCC6)c5)cc34)cn2)c1
InChIInChI=1S/C31H28F2N6O2.C30H26F2N6O2.C30H28N6O2.C29H26N6O2/c1-20-3-2-4-25(13-20)41-28-8-6-24(18-35-28)36-30(40)29-26-15-22(5-7-27(26)37-38-29)23-14-21(16-34-17-23)19-39-11-9-31(32,33)10-12-39;1-19-3-2-4-24(11-19)40-27-8-6-23(16-34-27)35-29(39)28-25-13-21(5-7-26(25)36-37-28)22-12-20(14-33-15-22)17-38-10-9-30(31,32)18-38;1-20-6-5-7-25(14-20)38-28-11-9-23(18-32-28)33-30(37)29-26-16-21(8-10-27(26)34-35-29)22-15-24(19-31-17-22)36-12-3-2-4-13-36;1-19-5-4-6-24(13-19)37-27-10-8-22(17-31-27)32-29(36)28-25-15-20(7-9-26(25)33-34-28)21-14-23(18-30-16-21)35-11-2-3-12-35/h2-8,13-18H,9-12,19H2,1H3,(H,36,40)(H,37,38);2-8,11-16H,9-10,17-18H2,1H3,(H,35,39)(H,36,37);5-11,14-19H,2-4,12-13H2,1H3,(H,33,37)(H,34,35);4-10,13-18H,2-3,11-12H2,1H3,(H,32,36)(H,33,34)
InChIKeyRESBLZSKNCXHSF-UHFFFAOYSA-N
MW2090.34 g/mol
LogP25.15
Rot. Bonds26

About 5-[5-[(4,4-difluoropiperidin-1-yl)methyl]-3-pyridinyl]-N-[6-(3-methylphenoxy)-3-pyridinyl]-1H-indazole-3-carboxamide;5-[5-[(3,3-difluoropyrrolidin-1-yl)methyl]-3-pyridinyl]-N-[6-(3-methylphenoxy)-3-pyridinyl]-1H-indazole-3-carboxamide;N-[6-(3-methylphenoxy)-3-pyridinyl]-5-(5-piperidin-1-yl-3-pyridinyl)-1H-indazole-3-carboxamide;N-[6-(3-methylphenoxy)-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-methylphenoxy)-3-pyridinyl]-1H-indazole-3-carboxamide;5-[5-[(3,3-difluoropyrrolidin-1-yl)methyl]-3-pyridinyl]-N-[6-(3-methylphenoxy)-3-pyridinyl]-1H-indazole-3-carboxamide;N-[6-(3-methylphenoxy)-3-pyridinyl]-5-(5-piperidin-1-yl-3-pyridinyl)-1H-indazole-3-carboxamide;N-[6-(3-methylphenoxy)-3-pyridinyl]-5-(5-pyrrolidin-1-yl-3-pyridinyl)-1H-indazole-3-carboxamide (PubChem CID 160604563) has the molecular formula C120H108F4N24O8 and a molecular weight of 2090.34 g/mol. Its IUPAC name is 5-[5-[(4,4-difluoropiperidin-1-yl)methyl]-3-pyridinyl]-N-[6-(3-methylphenoxy)-3-pyridinyl]-1H-indazole-3-carboxamide;5-[5-[(3,3-difluoropyrrolidin-1-yl)methyl]-3-pyridinyl]-N-[6-(3-methylphenoxy)-3-pyridinyl]-1H-indazole-3-carboxamide;N-[6-(3-methylphenoxy)-3-pyridinyl]-5-(5-piperidin-1-yl-3-pyridinyl)-1H-indazole-3-carboxamide;N-[6-(3-methylphenoxy)-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-methylphenoxy)-3-pyridinyl]-1H-indazole-3-carboxamide;5-[5-[(3,3-difluoropyrrolidin-1-yl)methyl]-3-pyridinyl]-N-[6-(3-methylphenoxy)-3-pyridinyl]-1H-indazole-3-carboxamide;N-[6-(3-methylphenoxy)-3-pyridinyl]-5-(5-piperidin-1-yl-3-pyridinyl)-1H-indazole-3-carboxamide;N-[6-(3-methylphenoxy)-3-pyridinyl]-5-(5-pyrrolidin-1-yl-3-pyridinyl)-1H-indazole-3-carboxamide
PubChem CID160604563
Molecular FormulaC120H108F4N24O8
Molecular Weight2090.34 g/mol
Exact Mass2088.87
IUPAC Name5-[5-[(4,4-difluoropiperidin-1-yl)methyl]-3-pyridinyl]-N-[6-(3-methylphenoxy)-3-pyridinyl]-1H-indazole-3-carboxamide;5-[5-[(3,3-difluoropyrrolidin-1-yl)methyl]-3-pyridinyl]-N-[6-(3-methylphenoxy)-3-pyridinyl]-1H-indazole-3-carboxamide;N-[6-(3-methylphenoxy)-3-pyridinyl]-5-(5-piperidin-1-yl-3-pyridinyl)-1H-indazole-3-carboxamide;N-[6-(3-methylphenoxy)-3-pyridinyl]-5-(5-pyrrolidin-1-yl-3-pyridinyl)-1H-indazole-3-carboxamide
SMILESCc1cccc(Oc2ccc(NC(=O)c3n[nH]c4ccc(-c5cncc(CN6CCC(F)(F)C6)c5)cc34)cn2)c1.Cc1cccc(Oc2ccc(NC(=O)c3n[nH]c4ccc(-c5cncc(CN6CCC(F)(F)CC6)c5)cc34)cn2)c1.Cc1cccc(Oc2ccc(NC(=O)c3n[nH]c4ccc(-c5cncc(N6CCCC6)c5)cc34)cn2)c1.Cc1cccc(Oc2ccc(NC(=O)c3n[nH]c4ccc(-c5cncc(N6CCCCC6)c5)cc34)cn2)c1
InChIInChI=1S/C31H28F2N6O2.C30H26F2N6O2.C30H28N6O2.C29H26N6O2/c1-20-3-2-4-25(13-20)41-28-8-6-24(18-35-28)36-30(40)29-26-15-22(5-7-27(26)37-38-29)23-14-21(16-34-17-23)19-39-11-9-31(32,33)10-12-39;1-19-3-2-4-24(11-19)40-27-8-6-23(16-34-27)35-29(39)28-25-13-21(5-7-26(25)36-37-28)22-12-20(14-33-15-22)17-38-10-9-30(31,32)18-38;1-20-6-5-7-25(14-20)38-28-11-9-23(18-32-28)33-30(37)29-26-16-21(8-10-27(26)34-35-29)22-15-24(19-31-17-22)36-12-3-2-4-13-36;1-19-5-4-6-24(13-19)37-27-10-8-22(17-31-27)32-29(36)28-25-15-20(7-9-26(25)33-34-28)21-14-23(18-30-16-21)35-11-2-3-12-35/h2-8,13-18H,9-12,19H2,1H3,(H,36,40)(H,37,38);2-8,11-16H,9-10,17-18H2,1H3,(H,35,39)(H,36,37);5-11,14-19H,2-4,12-13H2,1H3,(H,33,37)(H,34,35);4-10,13-18H,2-3,11-12H2,1H3,(H,32,36)(H,33,34)
InChIKeyRESBLZSKNCXHSF-UHFFFAOYSA-N
XLogP25.15
TPSA384.12 Ų
H-Bond Donors8
H-Bond Acceptors24
Rotatable Bonds26
Heavy Atoms156
Complexity

Lipinski Rule of Five

4 violations

RuleValue
MW ≤ 5002090.34
LogP ≤ 525.15
H-Bond Donors ≤ 58
H-Bond Acceptors ≤ 1024

Analyze 5-[5-[(4,4-difluoropiperidin-1-yl)methyl]-3-pyridinyl]-N-[6-(3-methylphenoxy)-3-pyridinyl]-1H-indazole-3-carboxamide;5-[5-[(3,3-difluoropyrrolidin-1-yl)methyl]-3-pyridinyl]-N-[6-(3-methylphenoxy)-3-pyridinyl]-1H-indazole-3-carboxamide;N-[6-(3-methylphenoxy)-3-pyridinyl]-5-(5-piperidin-1-yl-3-pyridinyl)-1H-indazole-3-carboxamide;N-[6-(3-methylphenoxy)-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-methylphenoxy)-3-pyridinyl]-1H-indazole-3-carboxamide;5-[5-[(3,3-difluoropyrrolidin-1-yl)methyl]-3-pyridinyl]-N-[6-(3-methylphenoxy)-3-pyridinyl]-1H-indazole-3-carboxamide;N-[6-(3-methylphenoxy)-3-pyridinyl]-5-(5-piperidin-1-yl-3-pyridinyl)-1H-indazole-3-carboxamide;N-[6-(3-methylphenoxy)-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-methylphenoxy)-3-pyridinyl]-1H-indazole-3-carboxamide;5-[5-[(3,3-difluoropyrrolidin-1-yl)methyl]-3-pyridinyl]-N-[6-(3-methylphenoxy)-3-pyridinyl]-1H-indazole-3-carboxamide;N-[6-(3-methylphenoxy)-3-pyridinyl]-5-(5-piperidin-1-yl-3-pyridinyl)-1H-indazole-3-carboxamide;N-[6-(3-methylphenoxy)-3-pyridinyl]-5-(5-pyrrolidin-1-yl-3-pyridinyl)-1H-indazole-3-carboxamide (CID 160604563) is 5-[5-[(4,4-difluoropiperidin-1-yl)methyl]-3-pyridinyl]-N-[6-(3-methylphenoxy)-3-pyridinyl]-1H-indazole-3-carboxamide;5-[5-[(3,3-difluoropyrrolidin-1-yl)methyl]-3-pyridinyl]-N-[6-(3-methylphenoxy)-3-pyridinyl]-1H-indazole-3-carboxamide;N-[6-(3-methylphenoxy)-3-pyridinyl]-5-(5-piperidin-1-yl-3-pyridinyl)-1H-indazole-3-carboxamide;N-[6-(3-methylphenoxy)-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-methylphenoxy)-3-pyridinyl]-1H-indazole-3-carboxamide;5-[5-[(3,3-difluoropyrrolidin-1-yl)methyl]-3-pyridinyl]-N-[6-(3-methylphenoxy)-3-pyridinyl]-1H-indazole-3-carboxamide;N-[6-(3-methylphenoxy)-3-pyridinyl]-5-(5-piperidin-1-yl-3-pyridinyl)-1H-indazole-3-carboxamide;N-[6-(3-methylphenoxy)-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-methylphenoxy)-3-pyridinyl]-1H-indazole-3-carboxamide;5-[5-[(3,3-difluoropyrrolidin-1-yl)methyl]-3-pyridinyl]-N-[6-(3-methylphenoxy)-3-pyridinyl]-1H-indazole-3-carboxamide;N-[6-(3-methylphenoxy)-3-pyridinyl]-5-(5-piperidin-1-yl-3-pyridinyl)-1H-indazole-3-carboxamide;N-[6-(3-methylphenoxy)-3-pyridinyl]-5-(5-pyrrolidin-1-yl-3-pyridinyl)-1H-indazole-3-carboxamide is Cc1cccc(Oc2ccc(NC(=O)c3n[nH]c4ccc(-c5cncc(CN6CCC(F)(F)C6)c5)cc34)cn2)c1.Cc1cccc(Oc2ccc(NC(=O)c3n[nH]c4ccc(-c5cncc(CN6CCC(F)(F)CC6)c5)cc34)cn2)c1.Cc1cccc(Oc2ccc(NC(=O)c3n[nH]c4ccc(-c5cncc(N6CCCC6)c5)cc34)cn2)c1.Cc1cccc(Oc2ccc(NC(=O)c3n[nH]c4ccc(-c5cncc(N6CCCCC6)c5)cc34)cn2)c1.
What is the InChIKey of 5-[5-[(4,4-difluoropiperidin-1-yl)methyl]-3-pyridinyl]-N-[6-(3-methylphenoxy)-3-pyridinyl]-1H-indazole-3-carboxamide;5-[5-[(3,3-difluoropyrrolidin-1-yl)methyl]-3-pyridinyl]-N-[6-(3-methylphenoxy)-3-pyridinyl]-1H-indazole-3-carboxamide;N-[6-(3-methylphenoxy)-3-pyridinyl]-5-(5-piperidin-1-yl-3-pyridinyl)-1H-indazole-3-carboxamide;N-[6-(3-methylphenoxy)-3-pyridinyl]-5-(5-pyrrolidin-1-yl-3-pyridinyl)-1H-indazole-3-carboxamide?
The InChIKey is RESBLZSKNCXHSF-UHFFFAOYSA-N. The full InChI is InChI=1S/C31H28F2N6O2.C30H26F2N6O2.C30H28N6O2.C29H26N6O2/c1-20-3-2-4-25(13-20)41-28-8-6-24(18-35-28)36-30(40)29-26-15-22(5-7-27(26)37-38-29)23-14-21(16-34-17-23)19-39-11-9-31(32,33)10-12-39;1-19-3-2-4-24(11-19)40-27-8-6-23(16-34-27)35-29(39)28-25-13-21(5-7-26(25)36-37-28)22-12-20(14-33-15-22)17-38-10-9-30(31,32)18-38;1-20-6-5-7-25(14-20)38-28-11-9-23(18-32-28)33-30(37)29-26-16-21(8-10-27(26)34-35-29)22-15-24(19-31-17-22)36-12-3-2-4-13-36;1-19-5-4-6-24(13-19)37-27-10-8-22(17-31-27)32-29(36)28-25-15-20(7-9-26(25)33-34-28)21-14-23(18-30-16-21)35-11-2-3-12-35/h2-8,13-18H,9-12,19H2,1H3,(H,36,40)(H,37,38);2-8,11-16H,9-10,17-18H2,1H3,(H,35,39)(H,36,37);5-11,14-19H,2-4,12-13H2,1H3,(H,33,37)(H,34,35);4-10,13-18H,2-3,11-12H2,1H3,(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-methylphenoxy)-3-pyridinyl]-1H-indazole-3-carboxamide;5-[5-[(3,3-difluoropyrrolidin-1-yl)methyl]-3-pyridinyl]-N-[6-(3-methylphenoxy)-3-pyridinyl]-1H-indazole-3-carboxamide;N-[6-(3-methylphenoxy)-3-pyridinyl]-5-(5-piperidin-1-yl-3-pyridinyl)-1H-indazole-3-carboxamide;N-[6-(3-methylphenoxy)-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-methylphenoxy)-3-pyridinyl]-1H-indazole-3-carboxamide;5-[5-[(3,3-difluoropyrrolidin-1-yl)methyl]-3-pyridinyl]-N-[6-(3-methylphenoxy)-3-pyridinyl]-1H-indazole-3-carboxamide;N-[6-(3-methylphenoxy)-3-pyridinyl]-5-(5-piperidin-1-yl-3-pyridinyl)-1H-indazole-3-carboxamide;N-[6-(3-methylphenoxy)-3-pyridinyl]-5-(5-pyrrolidin-1-yl-3-pyridinyl)-1H-indazole-3-carboxamide has a molecular weight of 2090.34 g/mol, XLogP of 25.15, 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-methylphenoxy)-3-pyridinyl]-1H-indazole-3-carboxamide;5-[5-[(3,3-difluoropyrrolidin-1-yl)methyl]-3-pyridinyl]-N-[6-(3-methylphenoxy)-3-pyridinyl]-1H-indazole-3-carboxamide;N-[6-(3-methylphenoxy)-3-pyridinyl]-5-(5-piperidin-1-yl-3-pyridinyl)-1H-indazole-3-carboxamide;N-[6-(3-methylphenoxy)-3-pyridinyl]-5-(5-pyrrolidin-1-yl-3-pyridinyl)-1H-indazole-3-carboxamide is sourced from PubChem (CID 160604563), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).