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

C112H128F4N28O8 — CID 160633968

IUPAC5-[5-[(4,4-difluoropiperidin-1-yl)methyl]-3-pyridinyl]-N-(6-morpholin-4-yl-3-pyridinyl)-1H-indazole-3-carboxamide;5-[5-[(3,3-difluoropyrrolidin-1-yl)methyl]-3-pyridinyl]-N-(6-morpholin-4-yl-3-pyridinyl)-1H-indazole-3-carboxamide;methane;N-(6-morpholin-4-yl-3-pyridinyl)-5-(5-piperidin-1-yl-3-pyridinyl)-1H-indazole-3-carboxamide;N-(6-morpholin-4-yl-3-pyridinyl)-5-(5-pyrrolidin-1-yl-3-pyridinyl)-1H-indazole-3-carboxamide
SMILESC.C.C.C.O=C(Nc1ccc(N2CCOCC2)nc1)c1n[nH]c2ccc(-c3cncc(CN4CCC(F)(F)C4)c3)cc12.O=C(Nc1ccc(N2CCOCC2)nc1)c1n[nH]c2ccc(-c3cncc(CN4CCC(F)(F)CC4)c3)cc12.O=C(Nc1ccc(N2CCOCC2)nc1)c1n[nH]c2ccc(-c3cncc(N4CCCC4)c3)cc12.O=C(Nc1ccc(N2CCOCC2)nc1)c1n[nH]c2ccc(-c3cncc(N4CCCCC4)c3)cc12
InChIInChI=1S/C28H29F2N7O2.C27H27F2N7O2.C27H29N7O2.C26H27N7O2.4CH4/c29-28(30)5-7-36(8-6-28)18-19-13-21(16-31-15-19)20-1-3-24-23(14-20)26(35-34-24)27(38)33-22-2-4-25(32-17-22)37-9-11-39-12-10-37;28-27(29)5-6-35(17-27)16-18-11-20(14-30-13-18)19-1-3-23-22(12-19)25(34-33-23)26(37)32-21-2-4-24(31-15-21)36-7-9-38-10-8-36;35-27(30-21-5-7-25(29-17-21)34-10-12-36-13-11-34)26-23-15-19(4-6-24(23)31-32-26)20-14-22(18-28-16-20)33-8-2-1-3-9-33;34-26(29-20-4-6-24(28-16-20)33-9-11-35-12-10-33)25-22-14-18(3-5-23(22)30-31-25)19-13-21(17-27-15-19)32-7-1-2-8-32;;;;/h1-4,13-17H,5-12,18H2,(H,33,38)(H,34,35);1-4,11-15H,5-10,16-17H2,(H,32,37)(H,33,34);4-7,14-18H,1-3,8-13H2,(H,30,35)(H,31,32);3-6,13-17H,1-2,7-12H2,(H,29,34)(H,30,31);4*1H4
InChIKeyRIHFUAYQZNYFLE-UHFFFAOYSA-N
MW2070.44 g/mol
LogP18.64
Rot. Bonds22

About 5-[5-[(4,4-difluoropiperidin-1-yl)methyl]-3-pyridinyl]-N-(6-morpholin-4-yl-3-pyridinyl)-1H-indazole-3-carboxamide;5-[5-[(3,3-difluoropyrrolidin-1-yl)methyl]-3-pyridinyl]-N-(6-morpholin-4-yl-3-pyridinyl)-1H-indazole-3-carboxamide;methane;N-(6-morpholin-4-yl-3-pyridinyl)-5-(5-piperidin-1-yl-3-pyridinyl)-1H-indazole-3-carboxamide;N-(6-morpholin-4-yl-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-morpholin-4-yl-3-pyridinyl)-1H-indazole-3-carboxamide;5-[5-[(3,3-difluoropyrrolidin-1-yl)methyl]-3-pyridinyl]-N-(6-morpholin-4-yl-3-pyridinyl)-1H-indazole-3-carboxamide;methane;N-(6-morpholin-4-yl-3-pyridinyl)-5-(5-piperidin-1-yl-3-pyridinyl)-1H-indazole-3-carboxamide;N-(6-morpholin-4-yl-3-pyridinyl)-5-(5-pyrrolidin-1-yl-3-pyridinyl)-1H-indazole-3-carboxamide (PubChem CID 160633968) has the molecular formula C112H128F4N28O8 and a molecular weight of 2070.44 g/mol. Its IUPAC name is 5-[5-[(4,4-difluoropiperidin-1-yl)methyl]-3-pyridinyl]-N-(6-morpholin-4-yl-3-pyridinyl)-1H-indazole-3-carboxamide;5-[5-[(3,3-difluoropyrrolidin-1-yl)methyl]-3-pyridinyl]-N-(6-morpholin-4-yl-3-pyridinyl)-1H-indazole-3-carboxamide;methane;N-(6-morpholin-4-yl-3-pyridinyl)-5-(5-piperidin-1-yl-3-pyridinyl)-1H-indazole-3-carboxamide;N-(6-morpholin-4-yl-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-morpholin-4-yl-3-pyridinyl)-1H-indazole-3-carboxamide;5-[5-[(3,3-difluoropyrrolidin-1-yl)methyl]-3-pyridinyl]-N-(6-morpholin-4-yl-3-pyridinyl)-1H-indazole-3-carboxamide;methane;N-(6-morpholin-4-yl-3-pyridinyl)-5-(5-piperidin-1-yl-3-pyridinyl)-1H-indazole-3-carboxamide;N-(6-morpholin-4-yl-3-pyridinyl)-5-(5-pyrrolidin-1-yl-3-pyridinyl)-1H-indazole-3-carboxamide
PubChem CID160633968
Molecular FormulaC112H128F4N28O8
Molecular Weight2070.44 g/mol
Exact Mass2069.04
IUPAC Name5-[5-[(4,4-difluoropiperidin-1-yl)methyl]-3-pyridinyl]-N-(6-morpholin-4-yl-3-pyridinyl)-1H-indazole-3-carboxamide;5-[5-[(3,3-difluoropyrrolidin-1-yl)methyl]-3-pyridinyl]-N-(6-morpholin-4-yl-3-pyridinyl)-1H-indazole-3-carboxamide;methane;N-(6-morpholin-4-yl-3-pyridinyl)-5-(5-piperidin-1-yl-3-pyridinyl)-1H-indazole-3-carboxamide;N-(6-morpholin-4-yl-3-pyridinyl)-5-(5-pyrrolidin-1-yl-3-pyridinyl)-1H-indazole-3-carboxamide
SMILESC.C.C.C.O=C(Nc1ccc(N2CCOCC2)nc1)c1n[nH]c2ccc(-c3cncc(CN4CCC(F)(F)C4)c3)cc12.O=C(Nc1ccc(N2CCOCC2)nc1)c1n[nH]c2ccc(-c3cncc(CN4CCC(F)(F)CC4)c3)cc12.O=C(Nc1ccc(N2CCOCC2)nc1)c1n[nH]c2ccc(-c3cncc(N4CCCC4)c3)cc12.O=C(Nc1ccc(N2CCOCC2)nc1)c1n[nH]c2ccc(-c3cncc(N4CCCCC4)c3)cc12
InChIInChI=1S/C28H29F2N7O2.C27H27F2N7O2.C27H29N7O2.C26H27N7O2.4CH4/c29-28(30)5-7-36(8-6-28)18-19-13-21(16-31-15-19)20-1-3-24-23(14-20)26(35-34-24)27(38)33-22-2-4-25(32-17-22)37-9-11-39-12-10-37;28-27(29)5-6-35(17-27)16-18-11-20(14-30-13-18)19-1-3-23-22(12-19)25(34-33-23)26(37)32-21-2-4-24(31-15-21)36-7-9-38-10-8-36;35-27(30-21-5-7-25(29-17-21)34-10-12-36-13-11-34)26-23-15-19(4-6-24(23)31-32-26)20-14-22(18-28-16-20)33-8-2-1-3-9-33;34-26(29-20-4-6-24(28-16-20)33-9-11-35-12-10-33)25-22-14-18(3-5-23(22)30-31-25)19-13-21(17-27-15-19)32-7-1-2-8-32;;;;/h1-4,13-17H,5-12,18H2,(H,33,38)(H,34,35);1-4,11-15H,5-10,16-17H2,(H,32,37)(H,33,34);4-7,14-18H,1-3,8-13H2,(H,30,35)(H,31,32);3-6,13-17H,1-2,7-12H2,(H,29,34)(H,30,31);4*1H4
InChIKeyRIHFUAYQZNYFLE-UHFFFAOYSA-N
XLogP18.64
TPSA397.08 Ų
H-Bond Donors8
H-Bond Acceptors28
Rotatable Bonds22
Heavy Atoms152
Complexity

Lipinski Rule of Five

4 violations

RuleValue
MW ≤ 5002070.44
LogP ≤ 518.64
H-Bond Donors ≤ 58
H-Bond Acceptors ≤ 1028

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

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Related Compounds

Frequently Asked Questions

What is the IUPAC name of 5-[5-[(4,4-difluoropiperidin-1-yl)methyl]-3-pyridinyl]-N-(6-morpholin-4-yl-3-pyridinyl)-1H-indazole-3-carboxamide;5-[5-[(3,3-difluoropyrrolidin-1-yl)methyl]-3-pyridinyl]-N-(6-morpholin-4-yl-3-pyridinyl)-1H-indazole-3-carboxamide;methane;N-(6-morpholin-4-yl-3-pyridinyl)-5-(5-piperidin-1-yl-3-pyridinyl)-1H-indazole-3-carboxamide;N-(6-morpholin-4-yl-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-morpholin-4-yl-3-pyridinyl)-1H-indazole-3-carboxamide;5-[5-[(3,3-difluoropyrrolidin-1-yl)methyl]-3-pyridinyl]-N-(6-morpholin-4-yl-3-pyridinyl)-1H-indazole-3-carboxamide;methane;N-(6-morpholin-4-yl-3-pyridinyl)-5-(5-piperidin-1-yl-3-pyridinyl)-1H-indazole-3-carboxamide;N-(6-morpholin-4-yl-3-pyridinyl)-5-(5-pyrrolidin-1-yl-3-pyridinyl)-1H-indazole-3-carboxamide (CID 160633968) is 5-[5-[(4,4-difluoropiperidin-1-yl)methyl]-3-pyridinyl]-N-(6-morpholin-4-yl-3-pyridinyl)-1H-indazole-3-carboxamide;5-[5-[(3,3-difluoropyrrolidin-1-yl)methyl]-3-pyridinyl]-N-(6-morpholin-4-yl-3-pyridinyl)-1H-indazole-3-carboxamide;methane;N-(6-morpholin-4-yl-3-pyridinyl)-5-(5-piperidin-1-yl-3-pyridinyl)-1H-indazole-3-carboxamide;N-(6-morpholin-4-yl-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-morpholin-4-yl-3-pyridinyl)-1H-indazole-3-carboxamide;5-[5-[(3,3-difluoropyrrolidin-1-yl)methyl]-3-pyridinyl]-N-(6-morpholin-4-yl-3-pyridinyl)-1H-indazole-3-carboxamide;methane;N-(6-morpholin-4-yl-3-pyridinyl)-5-(5-piperidin-1-yl-3-pyridinyl)-1H-indazole-3-carboxamide;N-(6-morpholin-4-yl-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-morpholin-4-yl-3-pyridinyl)-1H-indazole-3-carboxamide;5-[5-[(3,3-difluoropyrrolidin-1-yl)methyl]-3-pyridinyl]-N-(6-morpholin-4-yl-3-pyridinyl)-1H-indazole-3-carboxamide;methane;N-(6-morpholin-4-yl-3-pyridinyl)-5-(5-piperidin-1-yl-3-pyridinyl)-1H-indazole-3-carboxamide;N-(6-morpholin-4-yl-3-pyridinyl)-5-(5-pyrrolidin-1-yl-3-pyridinyl)-1H-indazole-3-carboxamide is C.C.C.C.O=C(Nc1ccc(N2CCOCC2)nc1)c1n[nH]c2ccc(-c3cncc(CN4CCC(F)(F)C4)c3)cc12.O=C(Nc1ccc(N2CCOCC2)nc1)c1n[nH]c2ccc(-c3cncc(CN4CCC(F)(F)CC4)c3)cc12.O=C(Nc1ccc(N2CCOCC2)nc1)c1n[nH]c2ccc(-c3cncc(N4CCCC4)c3)cc12.O=C(Nc1ccc(N2CCOCC2)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-morpholin-4-yl-3-pyridinyl)-1H-indazole-3-carboxamide;5-[5-[(3,3-difluoropyrrolidin-1-yl)methyl]-3-pyridinyl]-N-(6-morpholin-4-yl-3-pyridinyl)-1H-indazole-3-carboxamide;methane;N-(6-morpholin-4-yl-3-pyridinyl)-5-(5-piperidin-1-yl-3-pyridinyl)-1H-indazole-3-carboxamide;N-(6-morpholin-4-yl-3-pyridinyl)-5-(5-pyrrolidin-1-yl-3-pyridinyl)-1H-indazole-3-carboxamide?
The InChIKey is RIHFUAYQZNYFLE-UHFFFAOYSA-N. The full InChI is InChI=1S/C28H29F2N7O2.C27H27F2N7O2.C27H29N7O2.C26H27N7O2.4CH4/c29-28(30)5-7-36(8-6-28)18-19-13-21(16-31-15-19)20-1-3-24-23(14-20)26(35-34-24)27(38)33-22-2-4-25(32-17-22)37-9-11-39-12-10-37;28-27(29)5-6-35(17-27)16-18-11-20(14-30-13-18)19-1-3-23-22(12-19)25(34-33-23)26(37)32-21-2-4-24(31-15-21)36-7-9-38-10-8-36;35-27(30-21-5-7-25(29-17-21)34-10-12-36-13-11-34)26-23-15-19(4-6-24(23)31-32-26)20-14-22(18-28-16-20)33-8-2-1-3-9-33;34-26(29-20-4-6-24(28-16-20)33-9-11-35-12-10-33)25-22-14-18(3-5-23(22)30-31-25)19-13-21(17-27-15-19)32-7-1-2-8-32;;;;/h1-4,13-17H,5-12,18H2,(H,33,38)(H,34,35);1-4,11-15H,5-10,16-17H2,(H,32,37)(H,33,34);4-7,14-18H,1-3,8-13H2,(H,30,35)(H,31,32);3-6,13-17H,1-2,7-12H2,(H,29,34)(H,30,31);4*1H4.
What are the key properties of 5-[5-[(4,4-difluoropiperidin-1-yl)methyl]-3-pyridinyl]-N-(6-morpholin-4-yl-3-pyridinyl)-1H-indazole-3-carboxamide;5-[5-[(3,3-difluoropyrrolidin-1-yl)methyl]-3-pyridinyl]-N-(6-morpholin-4-yl-3-pyridinyl)-1H-indazole-3-carboxamide;methane;N-(6-morpholin-4-yl-3-pyridinyl)-5-(5-piperidin-1-yl-3-pyridinyl)-1H-indazole-3-carboxamide;N-(6-morpholin-4-yl-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-morpholin-4-yl-3-pyridinyl)-1H-indazole-3-carboxamide;5-[5-[(3,3-difluoropyrrolidin-1-yl)methyl]-3-pyridinyl]-N-(6-morpholin-4-yl-3-pyridinyl)-1H-indazole-3-carboxamide;methane;N-(6-morpholin-4-yl-3-pyridinyl)-5-(5-piperidin-1-yl-3-pyridinyl)-1H-indazole-3-carboxamide;N-(6-morpholin-4-yl-3-pyridinyl)-5-(5-pyrrolidin-1-yl-3-pyridinyl)-1H-indazole-3-carboxamide has a molecular weight of 2070.44 g/mol, XLogP of 18.64, 22 rotatable bonds, 8 hydrogen bond donors, and 28 hydrogen bond acceptors.
Where does this data come from?
All data for 5-[5-[(4,4-difluoropiperidin-1-yl)methyl]-3-pyridinyl]-N-(6-morpholin-4-yl-3-pyridinyl)-1H-indazole-3-carboxamide;5-[5-[(3,3-difluoropyrrolidin-1-yl)methyl]-3-pyridinyl]-N-(6-morpholin-4-yl-3-pyridinyl)-1H-indazole-3-carboxamide;methane;N-(6-morpholin-4-yl-3-pyridinyl)-5-(5-piperidin-1-yl-3-pyridinyl)-1H-indazole-3-carboxamide;N-(6-morpholin-4-yl-3-pyridinyl)-5-(5-pyrrolidin-1-yl-3-pyridinyl)-1H-indazole-3-carboxamide is sourced from PubChem (CID 160633968), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).