5-(5-amino-3-pyridinyl)-N-[6-(azetidin-1-yl)-3-pyridinyl]-1H-indazole-3-carboxamide;N-[6-(azetidin-1-yl)-3-pyridinyl]-5-[5-[(3,3-difluoropyrrolidin-1-yl)methyl]-3-pyridinyl]-1H-indazole-3-carboxamide;5-[5-[(4-hydroxypiperidin-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-phenoxy-3-pyridinyl)-1H-indazole-3-carboxamide

C107H115F2N27O8 — CID 158543637

IUPAC5-(5-amino-3-pyridinyl)-N-[6-(azetidin-1-yl)-3-pyridinyl]-1H-indazole-3-carboxamide;N-[6-(azetidin-1-yl)-3-pyridinyl]-5-[5-[(3,3-difluoropyrrolidin-1-yl)methyl]-3-pyridinyl]-1H-indazole-3-carboxamide;5-[5-[(4-hydroxypiperidin-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-phenoxy-3-pyridinyl)-1H-indazole-3-carboxamide
SMILESC.C.C.C.Nc1cncc(-c2ccc3[nH]nc(C(=O)Nc4ccc(N5CCC5)nc4)c3c2)c1.O=C(Nc1ccc(N2CCC2)nc1)c1n[nH]c2ccc(-c3cncc(CN4CCC(F)(F)C4)c3)cc12.O=C(Nc1ccc(N2CCOCC2)nc1)c1n[nH]c2ccc(-c3cncc(CN4CCC(O)CC4)c3)cc12.O=C(Nc1ccc(N2CCOCC2)nc1)c1n[nH]c2ccc(-c3cncc(Oc4ccccc4)c3)cc12
InChIInChI=1S/C28H31N7O3.C28H24N6O3.C26H25F2N7O.C21H19N7O.4CH4/c36-23-5-7-34(8-6-23)18-19-13-21(16-29-15-19)20-1-3-25-24(14-20)27(33-32-25)28(37)31-22-2-4-26(30-17-22)35-9-11-38-12-10-35;35-28(31-21-7-9-26(30-17-21)34-10-12-36-13-11-34)27-24-15-19(6-8-25(24)32-33-27)20-14-23(18-29-16-20)37-22-4-2-1-3-5-22;27-26(28)6-9-34(16-26)15-17-10-19(13-29-12-17)18-2-4-22-21(11-18)24(33-32-22)25(36)31-20-3-5-23(30-14-20)35-7-1-8-35;22-15-8-14(10-23-11-15)13-2-4-18-17(9-13)20(27-26-18)21(29)25-16-3-5-19(24-12-16)28-6-1-7-28;;;;/h1-4,13-17,23,36H,5-12,18H2,(H,31,37)(H,32,33);1-9,14-18H,10-13H2,(H,31,35)(H,32,33);2-5,10-14H,1,6-9,15-16H2,(H,31,36)(H,32,33);2-5,8-12H,1,6-7,22H2,(H,25,29)(H,26,27);4*1H4
InChIKeyHOVKLHHFUTVIDY-UHFFFAOYSA-N
MW1945.27 g/mol
LogP17.90
Rot. Bonds22

About 5-(5-amino-3-pyridinyl)-N-[6-(azetidin-1-yl)-3-pyridinyl]-1H-indazole-3-carboxamide;N-[6-(azetidin-1-yl)-3-pyridinyl]-5-[5-[(3,3-difluoropyrrolidin-1-yl)methyl]-3-pyridinyl]-1H-indazole-3-carboxamide;5-[5-[(4-hydroxypiperidin-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-phenoxy-3-pyridinyl)-1H-indazole-3-carboxamide

5-(5-amino-3-pyridinyl)-N-[6-(azetidin-1-yl)-3-pyridinyl]-1H-indazole-3-carboxamide;N-[6-(azetidin-1-yl)-3-pyridinyl]-5-[5-[(3,3-difluoropyrrolidin-1-yl)methyl]-3-pyridinyl]-1H-indazole-3-carboxamide;5-[5-[(4-hydroxypiperidin-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-phenoxy-3-pyridinyl)-1H-indazole-3-carboxamide (PubChem CID 158543637) has the molecular formula C107H115F2N27O8 and a molecular weight of 1945.27 g/mol. Its IUPAC name is 5-(5-amino-3-pyridinyl)-N-[6-(azetidin-1-yl)-3-pyridinyl]-1H-indazole-3-carboxamide;N-[6-(azetidin-1-yl)-3-pyridinyl]-5-[5-[(3,3-difluoropyrrolidin-1-yl)methyl]-3-pyridinyl]-1H-indazole-3-carboxamide;5-[5-[(4-hydroxypiperidin-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-phenoxy-3-pyridinyl)-1H-indazole-3-carboxamide.

Molecular Properties

Compound Name5-(5-amino-3-pyridinyl)-N-[6-(azetidin-1-yl)-3-pyridinyl]-1H-indazole-3-carboxamide;N-[6-(azetidin-1-yl)-3-pyridinyl]-5-[5-[(3,3-difluoropyrrolidin-1-yl)methyl]-3-pyridinyl]-1H-indazole-3-carboxamide;5-[5-[(4-hydroxypiperidin-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-phenoxy-3-pyridinyl)-1H-indazole-3-carboxamide
PubChem CID158543637
Molecular FormulaC107H115F2N27O8
Molecular Weight1945.27 g/mol
Exact Mass1943.94
IUPAC Name5-(5-amino-3-pyridinyl)-N-[6-(azetidin-1-yl)-3-pyridinyl]-1H-indazole-3-carboxamide;N-[6-(azetidin-1-yl)-3-pyridinyl]-5-[5-[(3,3-difluoropyrrolidin-1-yl)methyl]-3-pyridinyl]-1H-indazole-3-carboxamide;5-[5-[(4-hydroxypiperidin-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-phenoxy-3-pyridinyl)-1H-indazole-3-carboxamide
SMILESC.C.C.C.Nc1cncc(-c2ccc3[nH]nc(C(=O)Nc4ccc(N5CCC5)nc4)c3c2)c1.O=C(Nc1ccc(N2CCC2)nc1)c1n[nH]c2ccc(-c3cncc(CN4CCC(F)(F)C4)c3)cc12.O=C(Nc1ccc(N2CCOCC2)nc1)c1n[nH]c2ccc(-c3cncc(CN4CCC(O)CC4)c3)cc12.O=C(Nc1ccc(N2CCOCC2)nc1)c1n[nH]c2ccc(-c3cncc(Oc4ccccc4)c3)cc12
InChIInChI=1S/C28H31N7O3.C28H24N6O3.C26H25F2N7O.C21H19N7O.4CH4/c36-23-5-7-34(8-6-23)18-19-13-21(16-29-15-19)20-1-3-25-24(14-20)27(33-32-25)28(37)31-22-2-4-26(30-17-22)35-9-11-38-12-10-35;35-28(31-21-7-9-26(30-17-21)34-10-12-36-13-11-34)27-24-15-19(6-8-25(24)32-33-27)20-14-23(18-29-16-20)37-22-4-2-1-3-5-22;27-26(28)6-9-34(16-26)15-17-10-19(13-29-12-17)18-2-4-22-21(11-18)24(33-32-22)25(36)31-20-3-5-23(30-14-20)35-7-1-8-35;22-15-8-14(10-23-11-15)13-2-4-18-17(9-13)20(27-26-18)21(29)25-16-3-5-19(24-12-16)28-6-1-7-28;;;;/h1-4,13-17,23,36H,5-12,18H2,(H,31,37)(H,32,33);1-9,14-18H,10-13H2,(H,31,35)(H,32,33);2-5,10-14H,1,6-9,15-16H2,(H,31,36)(H,32,33);2-5,8-12H,1,6-7,22H2,(H,25,29)(H,26,27);4*1H4
InChIKeyHOVKLHHFUTVIDY-UHFFFAOYSA-N
XLogP17.90
TPSA427.62 Ų
H-Bond Donors10
H-Bond Acceptors27
Rotatable Bonds22
Heavy Atoms144
Complexity

Lipinski Rule of Five

4 violations

RuleValue
MW ≤ 5001945.27
LogP ≤ 517.90
H-Bond Donors ≤ 510
H-Bond Acceptors ≤ 1027

Analyze 5-(5-amino-3-pyridinyl)-N-[6-(azetidin-1-yl)-3-pyridinyl]-1H-indazole-3-carboxamide;N-[6-(azetidin-1-yl)-3-pyridinyl]-5-[5-[(3,3-difluoropyrrolidin-1-yl)methyl]-3-pyridinyl]-1H-indazole-3-carboxamide;5-[5-[(4-hydroxypiperidin-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-phenoxy-3-pyridinyl)-1H-indazole-3-carboxamide with MolForge

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Frequently Asked Questions

What is the IUPAC name of 5-(5-amino-3-pyridinyl)-N-[6-(azetidin-1-yl)-3-pyridinyl]-1H-indazole-3-carboxamide;N-[6-(azetidin-1-yl)-3-pyridinyl]-5-[5-[(3,3-difluoropyrrolidin-1-yl)methyl]-3-pyridinyl]-1H-indazole-3-carboxamide;5-[5-[(4-hydroxypiperidin-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-phenoxy-3-pyridinyl)-1H-indazole-3-carboxamide?
The IUPAC name of 5-(5-amino-3-pyridinyl)-N-[6-(azetidin-1-yl)-3-pyridinyl]-1H-indazole-3-carboxamide;N-[6-(azetidin-1-yl)-3-pyridinyl]-5-[5-[(3,3-difluoropyrrolidin-1-yl)methyl]-3-pyridinyl]-1H-indazole-3-carboxamide;5-[5-[(4-hydroxypiperidin-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-phenoxy-3-pyridinyl)-1H-indazole-3-carboxamide (CID 158543637) is 5-(5-amino-3-pyridinyl)-N-[6-(azetidin-1-yl)-3-pyridinyl]-1H-indazole-3-carboxamide;N-[6-(azetidin-1-yl)-3-pyridinyl]-5-[5-[(3,3-difluoropyrrolidin-1-yl)methyl]-3-pyridinyl]-1H-indazole-3-carboxamide;5-[5-[(4-hydroxypiperidin-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-phenoxy-3-pyridinyl)-1H-indazole-3-carboxamide.
What is the SMILES notation for 5-(5-amino-3-pyridinyl)-N-[6-(azetidin-1-yl)-3-pyridinyl]-1H-indazole-3-carboxamide;N-[6-(azetidin-1-yl)-3-pyridinyl]-5-[5-[(3,3-difluoropyrrolidin-1-yl)methyl]-3-pyridinyl]-1H-indazole-3-carboxamide;5-[5-[(4-hydroxypiperidin-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-phenoxy-3-pyridinyl)-1H-indazole-3-carboxamide?
The canonical SMILES for 5-(5-amino-3-pyridinyl)-N-[6-(azetidin-1-yl)-3-pyridinyl]-1H-indazole-3-carboxamide;N-[6-(azetidin-1-yl)-3-pyridinyl]-5-[5-[(3,3-difluoropyrrolidin-1-yl)methyl]-3-pyridinyl]-1H-indazole-3-carboxamide;5-[5-[(4-hydroxypiperidin-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-phenoxy-3-pyridinyl)-1H-indazole-3-carboxamide is C.C.C.C.Nc1cncc(-c2ccc3[nH]nc(C(=O)Nc4ccc(N5CCC5)nc4)c3c2)c1.O=C(Nc1ccc(N2CCC2)nc1)c1n[nH]c2ccc(-c3cncc(CN4CCC(F)(F)C4)c3)cc12.O=C(Nc1ccc(N2CCOCC2)nc1)c1n[nH]c2ccc(-c3cncc(CN4CCC(O)CC4)c3)cc12.O=C(Nc1ccc(N2CCOCC2)nc1)c1n[nH]c2ccc(-c3cncc(Oc4ccccc4)c3)cc12.
What is the InChIKey of 5-(5-amino-3-pyridinyl)-N-[6-(azetidin-1-yl)-3-pyridinyl]-1H-indazole-3-carboxamide;N-[6-(azetidin-1-yl)-3-pyridinyl]-5-[5-[(3,3-difluoropyrrolidin-1-yl)methyl]-3-pyridinyl]-1H-indazole-3-carboxamide;5-[5-[(4-hydroxypiperidin-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-phenoxy-3-pyridinyl)-1H-indazole-3-carboxamide?
The InChIKey is HOVKLHHFUTVIDY-UHFFFAOYSA-N. The full InChI is InChI=1S/C28H31N7O3.C28H24N6O3.C26H25F2N7O.C21H19N7O.4CH4/c36-23-5-7-34(8-6-23)18-19-13-21(16-29-15-19)20-1-3-25-24(14-20)27(33-32-25)28(37)31-22-2-4-26(30-17-22)35-9-11-38-12-10-35;35-28(31-21-7-9-26(30-17-21)34-10-12-36-13-11-34)27-24-15-19(6-8-25(24)32-33-27)20-14-23(18-29-16-20)37-22-4-2-1-3-5-22;27-26(28)6-9-34(16-26)15-17-10-19(13-29-12-17)18-2-4-22-21(11-18)24(33-32-22)25(36)31-20-3-5-23(30-14-20)35-7-1-8-35;22-15-8-14(10-23-11-15)13-2-4-18-17(9-13)20(27-26-18)21(29)25-16-3-5-19(24-12-16)28-6-1-7-28;;;;/h1-4,13-17,23,36H,5-12,18H2,(H,31,37)(H,32,33);1-9,14-18H,10-13H2,(H,31,35)(H,32,33);2-5,10-14H,1,6-9,15-16H2,(H,31,36)(H,32,33);2-5,8-12H,1,6-7,22H2,(H,25,29)(H,26,27);4*1H4.
What are the key properties of 5-(5-amino-3-pyridinyl)-N-[6-(azetidin-1-yl)-3-pyridinyl]-1H-indazole-3-carboxamide;N-[6-(azetidin-1-yl)-3-pyridinyl]-5-[5-[(3,3-difluoropyrrolidin-1-yl)methyl]-3-pyridinyl]-1H-indazole-3-carboxamide;5-[5-[(4-hydroxypiperidin-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-phenoxy-3-pyridinyl)-1H-indazole-3-carboxamide?
5-(5-amino-3-pyridinyl)-N-[6-(azetidin-1-yl)-3-pyridinyl]-1H-indazole-3-carboxamide;N-[6-(azetidin-1-yl)-3-pyridinyl]-5-[5-[(3,3-difluoropyrrolidin-1-yl)methyl]-3-pyridinyl]-1H-indazole-3-carboxamide;5-[5-[(4-hydroxypiperidin-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-phenoxy-3-pyridinyl)-1H-indazole-3-carboxamide has a molecular weight of 1945.27 g/mol, XLogP of 17.90, 22 rotatable bonds, 10 hydrogen bond donors, and 27 hydrogen bond acceptors.
Where does this data come from?
All data for 5-(5-amino-3-pyridinyl)-N-[6-(azetidin-1-yl)-3-pyridinyl]-1H-indazole-3-carboxamide;N-[6-(azetidin-1-yl)-3-pyridinyl]-5-[5-[(3,3-difluoropyrrolidin-1-yl)methyl]-3-pyridinyl]-1H-indazole-3-carboxamide;5-[5-[(4-hydroxypiperidin-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-phenoxy-3-pyridinyl)-1H-indazole-3-carboxamide is sourced from PubChem (CID 158543637), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).