6-cyclopropyl-N-[6-(dimethylamino)-2-[3-(2-hydroxypropan-2-yl)cyclobutyl]indazol-5-yl]-1-oxidopyridin-1-ium-2-carboxamide;N-[6-(dimethylamino)-2-[3-(2-hydroxypropan-2-yl)cyclobutyl]indazol-5-yl]-6-methyl-1-oxidopyridin-1-ium-2-carboxamide;N-[6-(dimethylamino)-2-[3-(2-hydroxypropan-2-yl)cyclobutyl]indazol-5-yl]-1-oxido-6-propan-2-ylpyridin-1-ium-2-carboxamide

C73H93N15O9 — CID 167581510

IUPAC6-cyclopropyl-N-[6-(dimethylamino)-2-[3-(2-hydroxypropan-2-yl)cyclobutyl]indazol-5-yl]-1-oxidopyridin-1-ium-2-carboxamide;N-[6-(dimethylamino)-2-[3-(2-hydroxypropan-2-yl)cyclobutyl]indazol-5-yl]-6-methyl-1-oxidopyridin-1-ium-2-carboxamide;N-[6-(dimethylamino)-2-[3-(2-hydroxypropan-2-yl)cyclobutyl]indazol-5-yl]-1-oxido-6-propan-2-ylpyridin-1-ium-2-carboxamide
SMILESCC(C)c1cccc(C(=O)Nc2cc3cn(C4CC(C(C)(C)O)C4)nc3cc2N(C)C)[n+]1[O-].CN(C)c1cc2nn(C3CC(C(C)(C)O)C3)cc2cc1NC(=O)c1cccc(C2CC2)[n+]1[O-].Cc1cccc(C(=O)Nc2cc3cn(C4CC(C(C)(C)O)C4)nc3cc2N(C)C)[n+]1[O-]
InChIInChI=1S/C25H31N5O3.C25H33N5O3.C23H29N5O3/c1-25(2,32)17-11-18(12-17)29-14-16-10-20(23(28(3)4)13-19(16)27-29)26-24(31)22-7-5-6-21(30(22)33)15-8-9-15;1-15(2)21-8-7-9-22(30(21)33)24(31)26-20-10-16-14-29(18-11-17(12-18)25(3,4)32)27-19(16)13-23(20)28(5)6;1-14-7-6-8-20(28(14)31)22(29)24-19-9-15-13-27(17-10-16(11-17)23(2,3)30)25-18(15)12-21(19)26(4)5/h5-7,10,13-15,17-18,32H,8-9,11-12H2,1-4H3,(H,26,31);7-10,13-15,17-18,32H,11-12H2,1-6H3,(H,26,31);6-9,12-13,16-17,30H,10-11H2,1-5H3,(H,24,29)
InChIKeyHFTWYMJFONDWOT-UHFFFAOYSA-N
MW1324.64 g/mol
LogP10.44
Rot. Bonds17

About 6-cyclopropyl-N-[6-(dimethylamino)-2-[3-(2-hydroxypropan-2-yl)cyclobutyl]indazol-5-yl]-1-oxidopyridin-1-ium-2-carboxamide;N-[6-(dimethylamino)-2-[3-(2-hydroxypropan-2-yl)cyclobutyl]indazol-5-yl]-6-methyl-1-oxidopyridin-1-ium-2-carboxamide;N-[6-(dimethylamino)-2-[3-(2-hydroxypropan-2-yl)cyclobutyl]indazol-5-yl]-1-oxido-6-propan-2-ylpyridin-1-ium-2-carboxamide

6-cyclopropyl-N-[6-(dimethylamino)-2-[3-(2-hydroxypropan-2-yl)cyclobutyl]indazol-5-yl]-1-oxidopyridin-1-ium-2-carboxamide;N-[6-(dimethylamino)-2-[3-(2-hydroxypropan-2-yl)cyclobutyl]indazol-5-yl]-6-methyl-1-oxidopyridin-1-ium-2-carboxamide;N-[6-(dimethylamino)-2-[3-(2-hydroxypropan-2-yl)cyclobutyl]indazol-5-yl]-1-oxido-6-propan-2-ylpyridin-1-ium-2-carboxamide (PubChem CID 167581510) has the molecular formula C73H93N15O9 and a molecular weight of 1324.64 g/mol. Its IUPAC name is 6-cyclopropyl-N-[6-(dimethylamino)-2-[3-(2-hydroxypropan-2-yl)cyclobutyl]indazol-5-yl]-1-oxidopyridin-1-ium-2-carboxamide;N-[6-(dimethylamino)-2-[3-(2-hydroxypropan-2-yl)cyclobutyl]indazol-5-yl]-6-methyl-1-oxidopyridin-1-ium-2-carboxamide;N-[6-(dimethylamino)-2-[3-(2-hydroxypropan-2-yl)cyclobutyl]indazol-5-yl]-1-oxido-6-propan-2-ylpyridin-1-ium-2-carboxamide.

Molecular Properties

Compound Name6-cyclopropyl-N-[6-(dimethylamino)-2-[3-(2-hydroxypropan-2-yl)cyclobutyl]indazol-5-yl]-1-oxidopyridin-1-ium-2-carboxamide;N-[6-(dimethylamino)-2-[3-(2-hydroxypropan-2-yl)cyclobutyl]indazol-5-yl]-6-methyl-1-oxidopyridin-1-ium-2-carboxamide;N-[6-(dimethylamino)-2-[3-(2-hydroxypropan-2-yl)cyclobutyl]indazol-5-yl]-1-oxido-6-propan-2-ylpyridin-1-ium-2-carboxamide
PubChem CID167581510
Molecular FormulaC73H93N15O9
Molecular Weight1324.64 g/mol
Exact Mass1323.73
IUPAC Name6-cyclopropyl-N-[6-(dimethylamino)-2-[3-(2-hydroxypropan-2-yl)cyclobutyl]indazol-5-yl]-1-oxidopyridin-1-ium-2-carboxamide;N-[6-(dimethylamino)-2-[3-(2-hydroxypropan-2-yl)cyclobutyl]indazol-5-yl]-6-methyl-1-oxidopyridin-1-ium-2-carboxamide;N-[6-(dimethylamino)-2-[3-(2-hydroxypropan-2-yl)cyclobutyl]indazol-5-yl]-1-oxido-6-propan-2-ylpyridin-1-ium-2-carboxamide
SMILESCC(C)c1cccc(C(=O)Nc2cc3cn(C4CC(C(C)(C)O)C4)nc3cc2N(C)C)[n+]1[O-].CN(C)c1cc2nn(C3CC(C(C)(C)O)C3)cc2cc1NC(=O)c1cccc(C2CC2)[n+]1[O-].Cc1cccc(C(=O)Nc2cc3cn(C4CC(C(C)(C)O)C4)nc3cc2N(C)C)[n+]1[O-]
InChIInChI=1S/C25H31N5O3.C25H33N5O3.C23H29N5O3/c1-25(2,32)17-11-18(12-17)29-14-16-10-20(23(28(3)4)13-19(16)27-29)26-24(31)22-7-5-6-21(30(22)33)15-8-9-15;1-15(2)21-8-7-9-22(30(21)33)24(31)26-20-10-16-14-29(18-11-17(12-18)25(3,4)32)27-19(16)13-23(20)28(5)6;1-14-7-6-8-20(28(14)31)22(29)24-19-9-15-13-27(17-10-16(11-17)23(2,3)30)25-18(15)12-21(19)26(4)5/h5-7,10,13-15,17-18,32H,8-9,11-12H2,1-4H3,(H,26,31);7-10,13-15,17-18,32H,11-12H2,1-6H3,(H,26,31);6-9,12-13,16-17,30H,10-11H2,1-5H3,(H,24,29)
InChIKeyHFTWYMJFONDWOT-UHFFFAOYSA-N
XLogP10.44
TPSA291.99 Ų
H-Bond Donors6
H-Bond Acceptors18
Rotatable Bonds17
Heavy Atoms97
Complexity—

Lipinski Rule of Five

4 violations

RuleValue
MW ≤ 5001324.64
LogP ≤ 510.44
H-Bond Donors ≤ 56
H-Bond Acceptors ≤ 1018

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'N_oxide', 'substructure': 'N/A'}, {'alert_name': 'quaternary_nitrogen_1', 'substructure': 'N/A'}

Analyze 6-cyclopropyl-N-[6-(dimethylamino)-2-[3-(2-hydroxypropan-2-yl)cyclobutyl]indazol-5-yl]-1-oxidopyridin-1-ium-2-carboxamide;N-[6-(dimethylamino)-2-[3-(2-hydroxypropan-2-yl)cyclobutyl]indazol-5-yl]-6-methyl-1-oxidopyridin-1-ium-2-carboxamide;N-[6-(dimethylamino)-2-[3-(2-hydroxypropan-2-yl)cyclobutyl]indazol-5-yl]-1-oxido-6-propan-2-ylpyridin-1-ium-2-carboxamide with MolForge

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Frequently Asked Questions

What is the IUPAC name of 6-cyclopropyl-N-[6-(dimethylamino)-2-[3-(2-hydroxypropan-2-yl)cyclobutyl]indazol-5-yl]-1-oxidopyridin-1-ium-2-carboxamide;N-[6-(dimethylamino)-2-[3-(2-hydroxypropan-2-yl)cyclobutyl]indazol-5-yl]-6-methyl-1-oxidopyridin-1-ium-2-carboxamide;N-[6-(dimethylamino)-2-[3-(2-hydroxypropan-2-yl)cyclobutyl]indazol-5-yl]-1-oxido-6-propan-2-ylpyridin-1-ium-2-carboxamide?
The IUPAC name of 6-cyclopropyl-N-[6-(dimethylamino)-2-[3-(2-hydroxypropan-2-yl)cyclobutyl]indazol-5-yl]-1-oxidopyridin-1-ium-2-carboxamide;N-[6-(dimethylamino)-2-[3-(2-hydroxypropan-2-yl)cyclobutyl]indazol-5-yl]-6-methyl-1-oxidopyridin-1-ium-2-carboxamide;N-[6-(dimethylamino)-2-[3-(2-hydroxypropan-2-yl)cyclobutyl]indazol-5-yl]-1-oxido-6-propan-2-ylpyridin-1-ium-2-carboxamide (CID 167581510) is 6-cyclopropyl-N-[6-(dimethylamino)-2-[3-(2-hydroxypropan-2-yl)cyclobutyl]indazol-5-yl]-1-oxidopyridin-1-ium-2-carboxamide;N-[6-(dimethylamino)-2-[3-(2-hydroxypropan-2-yl)cyclobutyl]indazol-5-yl]-6-methyl-1-oxidopyridin-1-ium-2-carboxamide;N-[6-(dimethylamino)-2-[3-(2-hydroxypropan-2-yl)cyclobutyl]indazol-5-yl]-1-oxido-6-propan-2-ylpyridin-1-ium-2-carboxamide.
What is the SMILES notation for 6-cyclopropyl-N-[6-(dimethylamino)-2-[3-(2-hydroxypropan-2-yl)cyclobutyl]indazol-5-yl]-1-oxidopyridin-1-ium-2-carboxamide;N-[6-(dimethylamino)-2-[3-(2-hydroxypropan-2-yl)cyclobutyl]indazol-5-yl]-6-methyl-1-oxidopyridin-1-ium-2-carboxamide;N-[6-(dimethylamino)-2-[3-(2-hydroxypropan-2-yl)cyclobutyl]indazol-5-yl]-1-oxido-6-propan-2-ylpyridin-1-ium-2-carboxamide?
The canonical SMILES for 6-cyclopropyl-N-[6-(dimethylamino)-2-[3-(2-hydroxypropan-2-yl)cyclobutyl]indazol-5-yl]-1-oxidopyridin-1-ium-2-carboxamide;N-[6-(dimethylamino)-2-[3-(2-hydroxypropan-2-yl)cyclobutyl]indazol-5-yl]-6-methyl-1-oxidopyridin-1-ium-2-carboxamide;N-[6-(dimethylamino)-2-[3-(2-hydroxypropan-2-yl)cyclobutyl]indazol-5-yl]-1-oxido-6-propan-2-ylpyridin-1-ium-2-carboxamide is CC(C)c1cccc(C(=O)Nc2cc3cn(C4CC(C(C)(C)O)C4)nc3cc2N(C)C)[n+]1[O-].CN(C)c1cc2nn(C3CC(C(C)(C)O)C3)cc2cc1NC(=O)c1cccc(C2CC2)[n+]1[O-].Cc1cccc(C(=O)Nc2cc3cn(C4CC(C(C)(C)O)C4)nc3cc2N(C)C)[n+]1[O-].
What is the InChIKey of 6-cyclopropyl-N-[6-(dimethylamino)-2-[3-(2-hydroxypropan-2-yl)cyclobutyl]indazol-5-yl]-1-oxidopyridin-1-ium-2-carboxamide;N-[6-(dimethylamino)-2-[3-(2-hydroxypropan-2-yl)cyclobutyl]indazol-5-yl]-6-methyl-1-oxidopyridin-1-ium-2-carboxamide;N-[6-(dimethylamino)-2-[3-(2-hydroxypropan-2-yl)cyclobutyl]indazol-5-yl]-1-oxido-6-propan-2-ylpyridin-1-ium-2-carboxamide?
The InChIKey is HFTWYMJFONDWOT-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H31N5O3.C25H33N5O3.C23H29N5O3/c1-25(2,32)17-11-18(12-17)29-14-16-10-20(23(28(3)4)13-19(16)27-29)26-24(31)22-7-5-6-21(30(22)33)15-8-9-15;1-15(2)21-8-7-9-22(30(21)33)24(31)26-20-10-16-14-29(18-11-17(12-18)25(3,4)32)27-19(16)13-23(20)28(5)6;1-14-7-6-8-20(28(14)31)22(29)24-19-9-15-13-27(17-10-16(11-17)23(2,3)30)25-18(15)12-21(19)26(4)5/h5-7,10,13-15,17-18,32H,8-9,11-12H2,1-4H3,(H,26,31);7-10,13-15,17-18,32H,11-12H2,1-6H3,(H,26,31);6-9,12-13,16-17,30H,10-11H2,1-5H3,(H,24,29).
What are the key properties of 6-cyclopropyl-N-[6-(dimethylamino)-2-[3-(2-hydroxypropan-2-yl)cyclobutyl]indazol-5-yl]-1-oxidopyridin-1-ium-2-carboxamide;N-[6-(dimethylamino)-2-[3-(2-hydroxypropan-2-yl)cyclobutyl]indazol-5-yl]-6-methyl-1-oxidopyridin-1-ium-2-carboxamide;N-[6-(dimethylamino)-2-[3-(2-hydroxypropan-2-yl)cyclobutyl]indazol-5-yl]-1-oxido-6-propan-2-ylpyridin-1-ium-2-carboxamide?
6-cyclopropyl-N-[6-(dimethylamino)-2-[3-(2-hydroxypropan-2-yl)cyclobutyl]indazol-5-yl]-1-oxidopyridin-1-ium-2-carboxamide;N-[6-(dimethylamino)-2-[3-(2-hydroxypropan-2-yl)cyclobutyl]indazol-5-yl]-6-methyl-1-oxidopyridin-1-ium-2-carboxamide;N-[6-(dimethylamino)-2-[3-(2-hydroxypropan-2-yl)cyclobutyl]indazol-5-yl]-1-oxido-6-propan-2-ylpyridin-1-ium-2-carboxamide has a molecular weight of 1324.64 g/mol, XLogP of 10.44, 17 rotatable bonds, 6 hydrogen bond donors, and 18 hydrogen bond acceptors.
Where does this data come from?
All data for 6-cyclopropyl-N-[6-(dimethylamino)-2-[3-(2-hydroxypropan-2-yl)cyclobutyl]indazol-5-yl]-1-oxidopyridin-1-ium-2-carboxamide;N-[6-(dimethylamino)-2-[3-(2-hydroxypropan-2-yl)cyclobutyl]indazol-5-yl]-6-methyl-1-oxidopyridin-1-ium-2-carboxamide;N-[6-(dimethylamino)-2-[3-(2-hydroxypropan-2-yl)cyclobutyl]indazol-5-yl]-1-oxido-6-propan-2-ylpyridin-1-ium-2-carboxamide is sourced from PubChem (CID 167581510), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).