5-[5-[(3,3-difluoropyrrolidin-1-yl)methyl]-3-pyridinyl]-N-phenyl-1H-indazole-3-carboxamide;methane;N-phenyl-5-[5-(piperidin-1-ylmethyl)-3-pyridinyl]-1H-indazole-3-carboxamide;N-phenyl-5-[5-(pyrrolidin-1-ylmethyl)-3-pyridinyl]-1H-indazole-3-carboxamide

C74H73F2N15O3 — CID 162091107

IUPAC5-[5-[(3,3-difluoropyrrolidin-1-yl)methyl]-3-pyridinyl]-N-phenyl-1H-indazole-3-carboxamide;methane;N-phenyl-5-[5-(piperidin-1-ylmethyl)-3-pyridinyl]-1H-indazole-3-carboxamide;N-phenyl-5-[5-(pyrrolidin-1-ylmethyl)-3-pyridinyl]-1H-indazole-3-carboxamide
SMILESC.O=C(Nc1ccccc1)c1n[nH]c2ccc(-c3cncc(CN4CCC(F)(F)C4)c3)cc12.O=C(Nc1ccccc1)c1n[nH]c2ccc(-c3cncc(CN4CCCC4)c3)cc12.O=C(Nc1ccccc1)c1n[nH]c2ccc(-c3cncc(CN4CCCCC4)c3)cc12
InChIInChI=1S/C25H25N5O.C24H21F2N5O.C24H23N5O.CH4/c31-25(27-21-7-3-1-4-8-21)24-22-14-19(9-10-23(22)28-29-24)20-13-18(15-26-16-20)17-30-11-5-2-6-12-30;25-24(26)8-9-31(15-24)14-16-10-18(13-27-12-16)17-6-7-21-20(11-17)22(30-29-21)23(32)28-19-4-2-1-3-5-19;30-24(26-20-6-2-1-3-7-20)23-21-13-18(8-9-22(21)27-28-23)19-12-17(14-25-15-19)16-29-10-4-5-11-29;/h1,3-4,7-10,13-16H,2,5-6,11-12,17H2,(H,27,31)(H,28,29);1-7,10-13H,8-9,14-15H2,(H,28,32)(H,29,30);1-3,6-9,12-15H,4-5,10-11,16H2,(H,26,30)(H,27,28);1H4
InChIKeyZDPUIZUCTIIJTK-UHFFFAOYSA-N
MW1258.50 g/mol
LogP14.69
Rot. Bonds15

About 5-[5-[(3,3-difluoropyrrolidin-1-yl)methyl]-3-pyridinyl]-N-phenyl-1H-indazole-3-carboxamide;methane;N-phenyl-5-[5-(piperidin-1-ylmethyl)-3-pyridinyl]-1H-indazole-3-carboxamide;N-phenyl-5-[5-(pyrrolidin-1-ylmethyl)-3-pyridinyl]-1H-indazole-3-carboxamide

5-[5-[(3,3-difluoropyrrolidin-1-yl)methyl]-3-pyridinyl]-N-phenyl-1H-indazole-3-carboxamide;methane;N-phenyl-5-[5-(piperidin-1-ylmethyl)-3-pyridinyl]-1H-indazole-3-carboxamide;N-phenyl-5-[5-(pyrrolidin-1-ylmethyl)-3-pyridinyl]-1H-indazole-3-carboxamide (PubChem CID 162091107) has the molecular formula C74H73F2N15O3 and a molecular weight of 1258.50 g/mol. Its IUPAC name is 5-[5-[(3,3-difluoropyrrolidin-1-yl)methyl]-3-pyridinyl]-N-phenyl-1H-indazole-3-carboxamide;methane;N-phenyl-5-[5-(piperidin-1-ylmethyl)-3-pyridinyl]-1H-indazole-3-carboxamide;N-phenyl-5-[5-(pyrrolidin-1-ylmethyl)-3-pyridinyl]-1H-indazole-3-carboxamide.

Molecular Properties

Compound Name5-[5-[(3,3-difluoropyrrolidin-1-yl)methyl]-3-pyridinyl]-N-phenyl-1H-indazole-3-carboxamide;methane;N-phenyl-5-[5-(piperidin-1-ylmethyl)-3-pyridinyl]-1H-indazole-3-carboxamide;N-phenyl-5-[5-(pyrrolidin-1-ylmethyl)-3-pyridinyl]-1H-indazole-3-carboxamide
PubChem CID162091107
Molecular FormulaC74H73F2N15O3
Molecular Weight1258.50 g/mol
Exact Mass1257.60
IUPAC Name5-[5-[(3,3-difluoropyrrolidin-1-yl)methyl]-3-pyridinyl]-N-phenyl-1H-indazole-3-carboxamide;methane;N-phenyl-5-[5-(piperidin-1-ylmethyl)-3-pyridinyl]-1H-indazole-3-carboxamide;N-phenyl-5-[5-(pyrrolidin-1-ylmethyl)-3-pyridinyl]-1H-indazole-3-carboxamide
SMILESC.O=C(Nc1ccccc1)c1n[nH]c2ccc(-c3cncc(CN4CCC(F)(F)C4)c3)cc12.O=C(Nc1ccccc1)c1n[nH]c2ccc(-c3cncc(CN4CCCC4)c3)cc12.O=C(Nc1ccccc1)c1n[nH]c2ccc(-c3cncc(CN4CCCCC4)c3)cc12
InChIInChI=1S/C25H25N5O.C24H21F2N5O.C24H23N5O.CH4/c31-25(27-21-7-3-1-4-8-21)24-22-14-19(9-10-23(22)28-29-24)20-13-18(15-26-16-20)17-30-11-5-2-6-12-30;25-24(26)8-9-31(15-24)14-16-10-18(13-27-12-16)17-6-7-21-20(11-17)22(30-29-21)23(32)28-19-4-2-1-3-5-19;30-24(26-20-6-2-1-3-7-20)23-21-13-18(8-9-22(21)27-28-23)19-12-17(14-25-15-19)16-29-10-4-5-11-29;/h1,3-4,7-10,13-16H,2,5-6,11-12,17H2,(H,27,31)(H,28,29);1-7,10-13H,8-9,14-15H2,(H,28,32)(H,29,30);1-3,6-9,12-15H,4-5,10-11,16H2,(H,26,30)(H,27,28);1H4
InChIKeyZDPUIZUCTIIJTK-UHFFFAOYSA-N
XLogP14.69
TPSA221.73 Ų
H-Bond Donors6
H-Bond Acceptors12
Rotatable Bonds15
Heavy Atoms94
Complexity—

Lipinski Rule of Five

4 violations

RuleValue
MW ≤ 5001258.50
LogP ≤ 514.69
H-Bond Donors ≤ 56
H-Bond Acceptors ≤ 1012

Analyze 5-[5-[(3,3-difluoropyrrolidin-1-yl)methyl]-3-pyridinyl]-N-phenyl-1H-indazole-3-carboxamide;methane;N-phenyl-5-[5-(piperidin-1-ylmethyl)-3-pyridinyl]-1H-indazole-3-carboxamide;N-phenyl-5-[5-(pyrrolidin-1-ylmethyl)-3-pyridinyl]-1H-indazole-3-carboxamide with MolForge

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Related Compounds

N-(6-methyl-3-pyridinyl)-5-[5-(piperidin-1-ylmethyl)-3-pyridinyl]-1H-indazole-3-carboxamide
CID 89458694
N-(5-methyl-3-pyridinyl)-5-[5-(piperidin-1-ylmethyl)-3-pyridinyl]-1H-indazole-3-carboxamide
CID 118381061
1-[4-[4-[4-[2-(1H-indazol-5-yl)-6-phenylpyridine-4-carbonyl]piperazin-1-yl]piperidine-1-carbonyl]piperidin-1-yl]ethanone
CID 49798426
N-(6-carbamoylpyridin-3-yl)-5-(5-(piperidin-1-ylmethyl)pyridin-3-yl)-1H-indazole-3-carboxamide
CID 86679707
5-[5-(1-Piperidinylmethyl)-3-pyridinyl]-N-4-pyridazinyl-1H-indazole-3-carboxamide
CID 89444820
N-[5-[(dimethylamino)methyl]-3-pyridinyl]-5-[5-(pyrrolidin-1-ylmethyl)-3-pyridinyl]-1H-indazole-3-carboxamide
CID 89444834
N-[6-[(4-methyl-1-piperazinyl)methyl]-3-pyridinyl]-5-(3-pyridinyl)-1H-Indazole-3-carboxamide
CID 89444841
5-[5-(piperidin-1-ylmethyl)-3-pyridinyl]-N-[6-(pyrrolidine-1-carbonyl)-3-pyridinyl]-1H-indazole-3-carboxamide
CID 89444896
5-[5-[(3,3-difluoropyrrolidin-1-yl)methyl]pyridin-3-yl]-N-[6-(4-methylpiperazin-1-yl)pyridin-3-yl]-1H-indazole-3-carboxamide
CID 89450403
5-[5-[(4-methylpiperidin-1-yl)methyl]-3-pyridinyl]-N-pyridin-3-yl-1H-indazole-3-carboxamide
CID 118381642
5-(2-fluoro-3-pyridinyl)-N-[4-(pyrrolidin-1-ylmethyl)phenyl]-1H-indazole-3-carboxamide
CID 162670206
5-(6-methyl-3-pyridinyl)-N-[[1-(2-phenylethyl)piperidin-4-yl]methyl]-1H-indazole-3-carboxamide
CID 127037293

Frequently Asked Questions

What is the IUPAC name of 5-[5-[(3,3-difluoropyrrolidin-1-yl)methyl]-3-pyridinyl]-N-phenyl-1H-indazole-3-carboxamide;methane;N-phenyl-5-[5-(piperidin-1-ylmethyl)-3-pyridinyl]-1H-indazole-3-carboxamide;N-phenyl-5-[5-(pyrrolidin-1-ylmethyl)-3-pyridinyl]-1H-indazole-3-carboxamide?
The IUPAC name of 5-[5-[(3,3-difluoropyrrolidin-1-yl)methyl]-3-pyridinyl]-N-phenyl-1H-indazole-3-carboxamide;methane;N-phenyl-5-[5-(piperidin-1-ylmethyl)-3-pyridinyl]-1H-indazole-3-carboxamide;N-phenyl-5-[5-(pyrrolidin-1-ylmethyl)-3-pyridinyl]-1H-indazole-3-carboxamide (CID 162091107) is 5-[5-[(3,3-difluoropyrrolidin-1-yl)methyl]-3-pyridinyl]-N-phenyl-1H-indazole-3-carboxamide;methane;N-phenyl-5-[5-(piperidin-1-ylmethyl)-3-pyridinyl]-1H-indazole-3-carboxamide;N-phenyl-5-[5-(pyrrolidin-1-ylmethyl)-3-pyridinyl]-1H-indazole-3-carboxamide.
What is the SMILES notation for 5-[5-[(3,3-difluoropyrrolidin-1-yl)methyl]-3-pyridinyl]-N-phenyl-1H-indazole-3-carboxamide;methane;N-phenyl-5-[5-(piperidin-1-ylmethyl)-3-pyridinyl]-1H-indazole-3-carboxamide;N-phenyl-5-[5-(pyrrolidin-1-ylmethyl)-3-pyridinyl]-1H-indazole-3-carboxamide?
The canonical SMILES for 5-[5-[(3,3-difluoropyrrolidin-1-yl)methyl]-3-pyridinyl]-N-phenyl-1H-indazole-3-carboxamide;methane;N-phenyl-5-[5-(piperidin-1-ylmethyl)-3-pyridinyl]-1H-indazole-3-carboxamide;N-phenyl-5-[5-(pyrrolidin-1-ylmethyl)-3-pyridinyl]-1H-indazole-3-carboxamide is C.O=C(Nc1ccccc1)c1n[nH]c2ccc(-c3cncc(CN4CCC(F)(F)C4)c3)cc12.O=C(Nc1ccccc1)c1n[nH]c2ccc(-c3cncc(CN4CCCC4)c3)cc12.O=C(Nc1ccccc1)c1n[nH]c2ccc(-c3cncc(CN4CCCCC4)c3)cc12.
What is the InChIKey of 5-[5-[(3,3-difluoropyrrolidin-1-yl)methyl]-3-pyridinyl]-N-phenyl-1H-indazole-3-carboxamide;methane;N-phenyl-5-[5-(piperidin-1-ylmethyl)-3-pyridinyl]-1H-indazole-3-carboxamide;N-phenyl-5-[5-(pyrrolidin-1-ylmethyl)-3-pyridinyl]-1H-indazole-3-carboxamide?
The InChIKey is ZDPUIZUCTIIJTK-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H25N5O.C24H21F2N5O.C24H23N5O.CH4/c31-25(27-21-7-3-1-4-8-21)24-22-14-19(9-10-23(22)28-29-24)20-13-18(15-26-16-20)17-30-11-5-2-6-12-30;25-24(26)8-9-31(15-24)14-16-10-18(13-27-12-16)17-6-7-21-20(11-17)22(30-29-21)23(32)28-19-4-2-1-3-5-19;30-24(26-20-6-2-1-3-7-20)23-21-13-18(8-9-22(21)27-28-23)19-12-17(14-25-15-19)16-29-10-4-5-11-29;/h1,3-4,7-10,13-16H,2,5-6,11-12,17H2,(H,27,31)(H,28,29);1-7,10-13H,8-9,14-15H2,(H,28,32)(H,29,30);1-3,6-9,12-15H,4-5,10-11,16H2,(H,26,30)(H,27,28);1H4.
What are the key properties of 5-[5-[(3,3-difluoropyrrolidin-1-yl)methyl]-3-pyridinyl]-N-phenyl-1H-indazole-3-carboxamide;methane;N-phenyl-5-[5-(piperidin-1-ylmethyl)-3-pyridinyl]-1H-indazole-3-carboxamide;N-phenyl-5-[5-(pyrrolidin-1-ylmethyl)-3-pyridinyl]-1H-indazole-3-carboxamide?
5-[5-[(3,3-difluoropyrrolidin-1-yl)methyl]-3-pyridinyl]-N-phenyl-1H-indazole-3-carboxamide;methane;N-phenyl-5-[5-(piperidin-1-ylmethyl)-3-pyridinyl]-1H-indazole-3-carboxamide;N-phenyl-5-[5-(pyrrolidin-1-ylmethyl)-3-pyridinyl]-1H-indazole-3-carboxamide has a molecular weight of 1258.50 g/mol, XLogP of 14.69, 15 rotatable bonds, 6 hydrogen bond donors, and 12 hydrogen bond acceptors.
Where does this data come from?
All data for 5-[5-[(3,3-difluoropyrrolidin-1-yl)methyl]-3-pyridinyl]-N-phenyl-1H-indazole-3-carboxamide;methane;N-phenyl-5-[5-(piperidin-1-ylmethyl)-3-pyridinyl]-1H-indazole-3-carboxamide;N-phenyl-5-[5-(pyrrolidin-1-ylmethyl)-3-pyridinyl]-1H-indazole-3-carboxamide is sourced from PubChem (CID 162091107), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).