5-(2,3-dimethylimidazol-4-yl)-N-[1-(4-fluorophenyl)piperidin-4-yl]-1H-indazole-3-carboxamide;N-[(3S,4S)-3-fluoro-1-(2-methylpropyl)piperidin-4-yl]-5-(1H-pyrazol-4-yl)-1H-indazole-3-carboxamide;N-[(1-methylpiperidin-4-yl)methyl]-5-(1-methylpyrazol-4-yl)-1H-indazole-3-carboxamide;5-[1-(1-methylpiperidin-4-yl)pyrazol-4-yl]-N-(5-methylthiophen-2-yl)-1H-indazole-3-carboxamide

C85H98F2N24O4S — CID 160536793

IUPAC5-(2,3-dimethylimidazol-4-yl)-N-[1-(4-fluorophenyl)piperidin-4-yl]-1H-indazole-3-carboxamide;N-[(3S,4S)-3-fluoro-1-(2-methylpropyl)piperidin-4-yl]-5-(1H-pyrazol-4-yl)-1H-indazole-3-carboxamide;N-[(1-methylpiperidin-4-yl)methyl]-5-(1-methylpyrazol-4-yl)-1H-indazole-3-carboxamide;5-[1-(1-methylpiperidin-4-yl)pyrazol-4-yl]-N-(5-methylthiophen-2-yl)-1H-indazole-3-carboxamide
SMILESCC(C)CN1CC[C@H](NC(=O)c2n[nH]c3ccc(-c4cn[nH]c4)cc23)[C@@H](F)C1.CN1CCC(CNC(=O)c2n[nH]c3ccc(-c4cnn(C)c4)cc23)CC1.Cc1ccc(NC(=O)c2n[nH]c3ccc(-c4cnn(C5CCN(C)CC5)c4)cc23)s1.Cc1ncc(-c2ccc3[nH]nc(C(=O)NC4CCN(c5ccc(F)cc5)CC4)c3c2)n1C
InChIInChI=1S/C24H25FN6O.C22H24N6OS.C20H25FN6O.C19H24N6O/c1-15-26-14-22(30(15)2)16-3-8-21-20(13-16)23(29-28-21)24(32)27-18-9-11-31(12-10-18)19-6-4-17(25)5-7-19;1-14-3-6-20(30-14)24-22(29)21-18-11-15(4-5-19(18)25-26-21)16-12-23-28(13-16)17-7-9-27(2)10-8-17;1-12(2)10-27-6-5-18(16(21)11-27)24-20(28)19-15-7-13(14-8-22-23-9-14)3-4-17(15)25-26-19;1-24-7-5-13(6-8-24)10-20-19(26)18-16-9-14(3-4-17(16)22-23-18)15-11-21-25(2)12-15/h3-8,13-14,18H,9-12H2,1-2H3,(H,27,32)(H,28,29);3-6,11-13,17H,7-10H2,1-2H3,(H,24,29)(H,25,26);3-4,7-9,12,16,18H,5-6,10-11H2,1-2H3,(H,22,23)(H,24,28)(H,25,26);3-4,9,11-13H,5-8,10H2,1-2H3,(H,20,26)(H,22,23)/t;;16-,18-;/m..0./s1
InChIKeyQWGJSIMXLZLIJV-HHDGUCKCSA-N
MW1589.95 g/mol
LogP12.91
Rot. Bonds17

About 5-(2,3-dimethylimidazol-4-yl)-N-[1-(4-fluorophenyl)piperidin-4-yl]-1H-indazole-3-carboxamide;N-[(3S,4S)-3-fluoro-1-(2-methylpropyl)piperidin-4-yl]-5-(1H-pyrazol-4-yl)-1H-indazole-3-carboxamide;N-[(1-methylpiperidin-4-yl)methyl]-5-(1-methylpyrazol-4-yl)-1H-indazole-3-carboxamide;5-[1-(1-methylpiperidin-4-yl)pyrazol-4-yl]-N-(5-methylthiophen-2-yl)-1H-indazole-3-carboxamide

5-(2,3-dimethylimidazol-4-yl)-N-[1-(4-fluorophenyl)piperidin-4-yl]-1H-indazole-3-carboxamide;N-[(3S,4S)-3-fluoro-1-(2-methylpropyl)piperidin-4-yl]-5-(1H-pyrazol-4-yl)-1H-indazole-3-carboxamide;N-[(1-methylpiperidin-4-yl)methyl]-5-(1-methylpyrazol-4-yl)-1H-indazole-3-carboxamide;5-[1-(1-methylpiperidin-4-yl)pyrazol-4-yl]-N-(5-methylthiophen-2-yl)-1H-indazole-3-carboxamide (PubChem CID 160536793) has the molecular formula C85H98F2N24O4S and a molecular weight of 1589.95 g/mol. Its IUPAC name is 5-(2,3-dimethylimidazol-4-yl)-N-[1-(4-fluorophenyl)piperidin-4-yl]-1H-indazole-3-carboxamide;N-[(3S,4S)-3-fluoro-1-(2-methylpropyl)piperidin-4-yl]-5-(1H-pyrazol-4-yl)-1H-indazole-3-carboxamide;N-[(1-methylpiperidin-4-yl)methyl]-5-(1-methylpyrazol-4-yl)-1H-indazole-3-carboxamide;5-[1-(1-methylpiperidin-4-yl)pyrazol-4-yl]-N-(5-methylthiophen-2-yl)-1H-indazole-3-carboxamide.

Molecular Properties

Compound Name5-(2,3-dimethylimidazol-4-yl)-N-[1-(4-fluorophenyl)piperidin-4-yl]-1H-indazole-3-carboxamide;N-[(3S,4S)-3-fluoro-1-(2-methylpropyl)piperidin-4-yl]-5-(1H-pyrazol-4-yl)-1H-indazole-3-carboxamide;N-[(1-methylpiperidin-4-yl)methyl]-5-(1-methylpyrazol-4-yl)-1H-indazole-3-carboxamide;5-[1-(1-methylpiperidin-4-yl)pyrazol-4-yl]-N-(5-methylthiophen-2-yl)-1H-indazole-3-carboxamide
PubChem CID160536793
Molecular FormulaC85H98F2N24O4S
Molecular Weight1589.95 g/mol
Exact Mass1588.79
IUPAC Name5-(2,3-dimethylimidazol-4-yl)-N-[1-(4-fluorophenyl)piperidin-4-yl]-1H-indazole-3-carboxamide;N-[(3S,4S)-3-fluoro-1-(2-methylpropyl)piperidin-4-yl]-5-(1H-pyrazol-4-yl)-1H-indazole-3-carboxamide;N-[(1-methylpiperidin-4-yl)methyl]-5-(1-methylpyrazol-4-yl)-1H-indazole-3-carboxamide;5-[1-(1-methylpiperidin-4-yl)pyrazol-4-yl]-N-(5-methylthiophen-2-yl)-1H-indazole-3-carboxamide
SMILESCC(C)CN1CC[C@H](NC(=O)c2n[nH]c3ccc(-c4cn[nH]c4)cc23)[C@@H](F)C1.CN1CCC(CNC(=O)c2n[nH]c3ccc(-c4cnn(C)c4)cc23)CC1.Cc1ccc(NC(=O)c2n[nH]c3ccc(-c4cnn(C5CCN(C)CC5)c4)cc23)s1.Cc1ncc(-c2ccc3[nH]nc(C(=O)NC4CCN(c5ccc(F)cc5)CC4)c3c2)n1C
InChIInChI=1S/C24H25FN6O.C22H24N6OS.C20H25FN6O.C19H24N6O/c1-15-26-14-22(30(15)2)16-3-8-21-20(13-16)23(29-28-21)24(32)27-18-9-11-31(12-10-18)19-6-4-17(25)5-7-19;1-14-3-6-20(30-14)24-22(29)21-18-11-15(4-5-19(18)25-26-21)16-12-23-28(13-16)17-7-9-27(2)10-8-17;1-12(2)10-27-6-5-18(16(21)11-27)24-20(28)19-15-7-13(14-8-22-23-9-14)3-4-17(15)25-26-19;1-24-7-5-13(6-8-24)10-20-19(26)18-16-9-14(3-4-17(16)22-23-18)15-11-21-25(2)12-15/h3-8,13-14,18H,9-12H2,1-2H3,(H,27,32)(H,28,29);3-6,11-13,17H,7-10H2,1-2H3,(H,24,29)(H,25,26);3-4,7-9,12,16,18H,5-6,10-11H2,1-2H3,(H,22,23)(H,24,28)(H,25,26);3-4,9,11-13H,5-8,10H2,1-2H3,(H,20,26)(H,22,23)/t;;16-,18-;/m..0./s1
InChIKeyQWGJSIMXLZLIJV-HHDGUCKCSA-N
XLogP12.91
TPSA326.22 Ų
H-Bond Donors9
H-Bond Acceptors20
Rotatable Bonds17
Heavy Atoms116
Complexity—

Lipinski Rule of Five

4 violations

RuleValue
MW ≤ 5001589.95
LogP ≤ 512.91
H-Bond Donors ≤ 59
H-Bond Acceptors ≤ 1020

Analyze 5-(2,3-dimethylimidazol-4-yl)-N-[1-(4-fluorophenyl)piperidin-4-yl]-1H-indazole-3-carboxamide;N-[(3S,4S)-3-fluoro-1-(2-methylpropyl)piperidin-4-yl]-5-(1H-pyrazol-4-yl)-1H-indazole-3-carboxamide;N-[(1-methylpiperidin-4-yl)methyl]-5-(1-methylpyrazol-4-yl)-1H-indazole-3-carboxamide;5-[1-(1-methylpiperidin-4-yl)pyrazol-4-yl]-N-(5-methylthiophen-2-yl)-1H-indazole-3-carboxamide with MolForge

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Frequently Asked Questions

What is the IUPAC name of 5-(2,3-dimethylimidazol-4-yl)-N-[1-(4-fluorophenyl)piperidin-4-yl]-1H-indazole-3-carboxamide;N-[(3S,4S)-3-fluoro-1-(2-methylpropyl)piperidin-4-yl]-5-(1H-pyrazol-4-yl)-1H-indazole-3-carboxamide;N-[(1-methylpiperidin-4-yl)methyl]-5-(1-methylpyrazol-4-yl)-1H-indazole-3-carboxamide;5-[1-(1-methylpiperidin-4-yl)pyrazol-4-yl]-N-(5-methylthiophen-2-yl)-1H-indazole-3-carboxamide?
The IUPAC name of 5-(2,3-dimethylimidazol-4-yl)-N-[1-(4-fluorophenyl)piperidin-4-yl]-1H-indazole-3-carboxamide;N-[(3S,4S)-3-fluoro-1-(2-methylpropyl)piperidin-4-yl]-5-(1H-pyrazol-4-yl)-1H-indazole-3-carboxamide;N-[(1-methylpiperidin-4-yl)methyl]-5-(1-methylpyrazol-4-yl)-1H-indazole-3-carboxamide;5-[1-(1-methylpiperidin-4-yl)pyrazol-4-yl]-N-(5-methylthiophen-2-yl)-1H-indazole-3-carboxamide (CID 160536793) is 5-(2,3-dimethylimidazol-4-yl)-N-[1-(4-fluorophenyl)piperidin-4-yl]-1H-indazole-3-carboxamide;N-[(3S,4S)-3-fluoro-1-(2-methylpropyl)piperidin-4-yl]-5-(1H-pyrazol-4-yl)-1H-indazole-3-carboxamide;N-[(1-methylpiperidin-4-yl)methyl]-5-(1-methylpyrazol-4-yl)-1H-indazole-3-carboxamide;5-[1-(1-methylpiperidin-4-yl)pyrazol-4-yl]-N-(5-methylthiophen-2-yl)-1H-indazole-3-carboxamide.
What is the SMILES notation for 5-(2,3-dimethylimidazol-4-yl)-N-[1-(4-fluorophenyl)piperidin-4-yl]-1H-indazole-3-carboxamide;N-[(3S,4S)-3-fluoro-1-(2-methylpropyl)piperidin-4-yl]-5-(1H-pyrazol-4-yl)-1H-indazole-3-carboxamide;N-[(1-methylpiperidin-4-yl)methyl]-5-(1-methylpyrazol-4-yl)-1H-indazole-3-carboxamide;5-[1-(1-methylpiperidin-4-yl)pyrazol-4-yl]-N-(5-methylthiophen-2-yl)-1H-indazole-3-carboxamide?
The canonical SMILES for 5-(2,3-dimethylimidazol-4-yl)-N-[1-(4-fluorophenyl)piperidin-4-yl]-1H-indazole-3-carboxamide;N-[(3S,4S)-3-fluoro-1-(2-methylpropyl)piperidin-4-yl]-5-(1H-pyrazol-4-yl)-1H-indazole-3-carboxamide;N-[(1-methylpiperidin-4-yl)methyl]-5-(1-methylpyrazol-4-yl)-1H-indazole-3-carboxamide;5-[1-(1-methylpiperidin-4-yl)pyrazol-4-yl]-N-(5-methylthiophen-2-yl)-1H-indazole-3-carboxamide is CC(C)CN1CC[C@H](NC(=O)c2n[nH]c3ccc(-c4cn[nH]c4)cc23)[C@@H](F)C1.CN1CCC(CNC(=O)c2n[nH]c3ccc(-c4cnn(C)c4)cc23)CC1.Cc1ccc(NC(=O)c2n[nH]c3ccc(-c4cnn(C5CCN(C)CC5)c4)cc23)s1.Cc1ncc(-c2ccc3[nH]nc(C(=O)NC4CCN(c5ccc(F)cc5)CC4)c3c2)n1C.
What is the InChIKey of 5-(2,3-dimethylimidazol-4-yl)-N-[1-(4-fluorophenyl)piperidin-4-yl]-1H-indazole-3-carboxamide;N-[(3S,4S)-3-fluoro-1-(2-methylpropyl)piperidin-4-yl]-5-(1H-pyrazol-4-yl)-1H-indazole-3-carboxamide;N-[(1-methylpiperidin-4-yl)methyl]-5-(1-methylpyrazol-4-yl)-1H-indazole-3-carboxamide;5-[1-(1-methylpiperidin-4-yl)pyrazol-4-yl]-N-(5-methylthiophen-2-yl)-1H-indazole-3-carboxamide?
The InChIKey is QWGJSIMXLZLIJV-HHDGUCKCSA-N. The full InChI is InChI=1S/C24H25FN6O.C22H24N6OS.C20H25FN6O.C19H24N6O/c1-15-26-14-22(30(15)2)16-3-8-21-20(13-16)23(29-28-21)24(32)27-18-9-11-31(12-10-18)19-6-4-17(25)5-7-19;1-14-3-6-20(30-14)24-22(29)21-18-11-15(4-5-19(18)25-26-21)16-12-23-28(13-16)17-7-9-27(2)10-8-17;1-12(2)10-27-6-5-18(16(21)11-27)24-20(28)19-15-7-13(14-8-22-23-9-14)3-4-17(15)25-26-19;1-24-7-5-13(6-8-24)10-20-19(26)18-16-9-14(3-4-17(16)22-23-18)15-11-21-25(2)12-15/h3-8,13-14,18H,9-12H2,1-2H3,(H,27,32)(H,28,29);3-6,11-13,17H,7-10H2,1-2H3,(H,24,29)(H,25,26);3-4,7-9,12,16,18H,5-6,10-11H2,1-2H3,(H,22,23)(H,24,28)(H,25,26);3-4,9,11-13H,5-8,10H2,1-2H3,(H,20,26)(H,22,23)/t;;16-,18-;/m..0./s1.
What are the key properties of 5-(2,3-dimethylimidazol-4-yl)-N-[1-(4-fluorophenyl)piperidin-4-yl]-1H-indazole-3-carboxamide;N-[(3S,4S)-3-fluoro-1-(2-methylpropyl)piperidin-4-yl]-5-(1H-pyrazol-4-yl)-1H-indazole-3-carboxamide;N-[(1-methylpiperidin-4-yl)methyl]-5-(1-methylpyrazol-4-yl)-1H-indazole-3-carboxamide;5-[1-(1-methylpiperidin-4-yl)pyrazol-4-yl]-N-(5-methylthiophen-2-yl)-1H-indazole-3-carboxamide?
5-(2,3-dimethylimidazol-4-yl)-N-[1-(4-fluorophenyl)piperidin-4-yl]-1H-indazole-3-carboxamide;N-[(3S,4S)-3-fluoro-1-(2-methylpropyl)piperidin-4-yl]-5-(1H-pyrazol-4-yl)-1H-indazole-3-carboxamide;N-[(1-methylpiperidin-4-yl)methyl]-5-(1-methylpyrazol-4-yl)-1H-indazole-3-carboxamide;5-[1-(1-methylpiperidin-4-yl)pyrazol-4-yl]-N-(5-methylthiophen-2-yl)-1H-indazole-3-carboxamide has a molecular weight of 1589.95 g/mol, XLogP of 12.91, 17 rotatable bonds, 9 hydrogen bond donors, and 20 hydrogen bond acceptors.
Where does this data come from?
All data for 5-(2,3-dimethylimidazol-4-yl)-N-[1-(4-fluorophenyl)piperidin-4-yl]-1H-indazole-3-carboxamide;N-[(3S,4S)-3-fluoro-1-(2-methylpropyl)piperidin-4-yl]-5-(1H-pyrazol-4-yl)-1H-indazole-3-carboxamide;N-[(1-methylpiperidin-4-yl)methyl]-5-(1-methylpyrazol-4-yl)-1H-indazole-3-carboxamide;5-[1-(1-methylpiperidin-4-yl)pyrazol-4-yl]-N-(5-methylthiophen-2-yl)-1H-indazole-3-carboxamide is sourced from PubChem (CID 160536793), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).