N-[2-(3-tert-butylcyclobutyl)-6-methoxyindazol-5-yl]-6-(trifluoromethyl)pyridine-2-carboxamide;N-[2-(3-tert-butylcyclobutyl)-6-[(1-methylpiperidin-4-yl)methoxy]indazol-5-yl]-6-(trifluoromethyl)pyridine-2-carboxamide;N-[2-(3-tert-butylcyclobutyl)-6-(oxolan-3-yloxy)indazol-5-yl]-6-(trifluoromethyl)pyridine-2-carboxamide;N-[6-(cyclopropylmethoxy)-2-[3-(2-hydroxypropan-2-yl)cyclobutyl]indazol-5-yl]-6-(trifluoromethyl)pyridine-2-carboxamide;N-[2-[2-(3,3-difluoroazetidin-1-yl)ethyl]-6-methoxyindazol-5-yl]-6-(trifluoromethyl)pyridine-2-carboxamide

C123H135F17N22O12 — CID 165031557

IUPACN-[2-(3-tert-butylcyclobutyl)-6-methoxyindazol-5-yl]-6-(trifluoromethyl)pyridine-2-carboxamide;N-[2-(3-tert-butylcyclobutyl)-6-[(1-methylpiperidin-4-yl)methoxy]indazol-5-yl]-6-(trifluoromethyl)pyridine-2-carboxamide;N-[2-(3-tert-butylcyclobutyl)-6-(oxolan-3-yloxy)indazol-5-yl]-6-(trifluoromethyl)pyridine-2-carboxamide;N-[6-(cyclopropylmethoxy)-2-[3-(2-hydroxypropan-2-yl)cyclobutyl]indazol-5-yl]-6-(trifluoromethyl)pyridine-2-carboxamide;N-[2-[2-(3,3-difluoroazetidin-1-yl)ethyl]-6-methoxyindazol-5-yl]-6-(trifluoromethyl)pyridine-2-carboxamide
SMILESCC(C)(C)C1CC(n2cc3cc(NC(=O)c4cccc(C(F)(F)F)n4)c(OC4CCOC4)cc3n2)C1.CC(C)(O)C1CC(n2cc3cc(NC(=O)c4cccc(C(F)(F)F)n4)c(OCC4CC4)cc3n2)C1.CN1CCC(COc2cc3nn(C4CC(C(C)(C)C)C4)cc3cc2NC(=O)c2cccc(C(F)(F)F)n2)CC1.COc1cc2nn(C3CC(C(C)(C)C)C3)cc2cc1NC(=O)c1cccc(C(F)(F)F)n1.COc1cc2nn(CCN3CC(F)(F)C3)cc2cc1NC(=O)c1cccc(C(F)(F)F)n1
InChIInChI=1S/C29H36F3N5O2.C26H29F3N4O3.C25H27F3N4O3.C23H25F3N4O2.C20H18F5N5O2/c1-28(2,3)20-13-21(14-20)37-16-19-12-24(34-27(38)22-6-5-7-26(33-22)29(30,31)32)25(15-23(19)35-37)39-17-18-8-10-36(4)11-9-18;1-25(2,3)16-10-17(11-16)33-13-15-9-21(22(12-20(15)32-33)36-18-7-8-35-14-18)31-24(34)19-5-4-6-23(30-19)26(27,28)29;1-24(2,34)16-9-17(10-16)32-12-15-8-20(21(11-19(15)31-32)35-13-14-6-7-14)30-23(33)18-4-3-5-22(29-18)25(26,27)28;1-22(2,3)14-9-15(10-14)30-12-13-8-18(19(32-4)11-17(13)29-30)28-21(31)16-6-5-7-20(27-16)23(24,25)26;1-32-16-8-14-12(9-30(28-14)6-5-29-10-19(21,22)11-29)7-15(16)27-18(31)13-3-2-4-17(26-13)20(23,24)25/h5-7,12,15-16,18,20-21H,8-11,13-14,17H2,1-4H3,(H,34,38);4-6,9,12-13,16-18H,7-8,10-11,14H2,1-3H3,(H,31,34);3-5,8,11-12,14,16-17,34H,6-7,9-10,13H2,1-2H3,(H,30,33);5-8,11-12,14-15H,9-10H2,1-4H3,(H,28,31);2-4,7-9H,5-6,10-11H2,1H3,(H,27,31)
InChIKeyMSSDKNBVCINHQO-UHFFFAOYSA-N
MW2436.54 g/mol
LogP26.87
Rot. Bonds28

About N-[2-(3-tert-butylcyclobutyl)-6-methoxyindazol-5-yl]-6-(trifluoromethyl)pyridine-2-carboxamide;N-[2-(3-tert-butylcyclobutyl)-6-[(1-methylpiperidin-4-yl)methoxy]indazol-5-yl]-6-(trifluoromethyl)pyridine-2-carboxamide;N-[2-(3-tert-butylcyclobutyl)-6-(oxolan-3-yloxy)indazol-5-yl]-6-(trifluoromethyl)pyridine-2-carboxamide;N-[6-(cyclopropylmethoxy)-2-[3-(2-hydroxypropan-2-yl)cyclobutyl]indazol-5-yl]-6-(trifluoromethyl)pyridine-2-carboxamide;N-[2-[2-(3,3-difluoroazetidin-1-yl)ethyl]-6-methoxyindazol-5-yl]-6-(trifluoromethyl)pyridine-2-carboxamide

N-[2-(3-tert-butylcyclobutyl)-6-methoxyindazol-5-yl]-6-(trifluoromethyl)pyridine-2-carboxamide;N-[2-(3-tert-butylcyclobutyl)-6-[(1-methylpiperidin-4-yl)methoxy]indazol-5-yl]-6-(trifluoromethyl)pyridine-2-carboxamide;N-[2-(3-tert-butylcyclobutyl)-6-(oxolan-3-yloxy)indazol-5-yl]-6-(trifluoromethyl)pyridine-2-carboxamide;N-[6-(cyclopropylmethoxy)-2-[3-(2-hydroxypropan-2-yl)cyclobutyl]indazol-5-yl]-6-(trifluoromethyl)pyridine-2-carboxamide;N-[2-[2-(3,3-difluoroazetidin-1-yl)ethyl]-6-methoxyindazol-5-yl]-6-(trifluoromethyl)pyridine-2-carboxamide (PubChem CID 165031557) has the molecular formula C123H135F17N22O12 and a molecular weight of 2436.54 g/mol. Its IUPAC name is N-[2-(3-tert-butylcyclobutyl)-6-methoxyindazol-5-yl]-6-(trifluoromethyl)pyridine-2-carboxamide;N-[2-(3-tert-butylcyclobutyl)-6-[(1-methylpiperidin-4-yl)methoxy]indazol-5-yl]-6-(trifluoromethyl)pyridine-2-carboxamide;N-[2-(3-tert-butylcyclobutyl)-6-(oxolan-3-yloxy)indazol-5-yl]-6-(trifluoromethyl)pyridine-2-carboxamide;N-[6-(cyclopropylmethoxy)-2-[3-(2-hydroxypropan-2-yl)cyclobutyl]indazol-5-yl]-6-(trifluoromethyl)pyridine-2-carboxamide;N-[2-[2-(3,3-difluoroazetidin-1-yl)ethyl]-6-methoxyindazol-5-yl]-6-(trifluoromethyl)pyridine-2-carboxamide.

Molecular Properties

Compound NameN-[2-(3-tert-butylcyclobutyl)-6-methoxyindazol-5-yl]-6-(trifluoromethyl)pyridine-2-carboxamide;N-[2-(3-tert-butylcyclobutyl)-6-[(1-methylpiperidin-4-yl)methoxy]indazol-5-yl]-6-(trifluoromethyl)pyridine-2-carboxamide;N-[2-(3-tert-butylcyclobutyl)-6-(oxolan-3-yloxy)indazol-5-yl]-6-(trifluoromethyl)pyridine-2-carboxamide;N-[6-(cyclopropylmethoxy)-2-[3-(2-hydroxypropan-2-yl)cyclobutyl]indazol-5-yl]-6-(trifluoromethyl)pyridine-2-carboxamide;N-[2-[2-(3,3-difluoroazetidin-1-yl)ethyl]-6-methoxyindazol-5-yl]-6-(trifluoromethyl)pyridine-2-carboxamide
PubChem CID165031557
Molecular FormulaC123H135F17N22O12
Molecular Weight2436.54 g/mol
Exact Mass2435.04
IUPAC NameN-[2-(3-tert-butylcyclobutyl)-6-methoxyindazol-5-yl]-6-(trifluoromethyl)pyridine-2-carboxamide;N-[2-(3-tert-butylcyclobutyl)-6-[(1-methylpiperidin-4-yl)methoxy]indazol-5-yl]-6-(trifluoromethyl)pyridine-2-carboxamide;N-[2-(3-tert-butylcyclobutyl)-6-(oxolan-3-yloxy)indazol-5-yl]-6-(trifluoromethyl)pyridine-2-carboxamide;N-[6-(cyclopropylmethoxy)-2-[3-(2-hydroxypropan-2-yl)cyclobutyl]indazol-5-yl]-6-(trifluoromethyl)pyridine-2-carboxamide;N-[2-[2-(3,3-difluoroazetidin-1-yl)ethyl]-6-methoxyindazol-5-yl]-6-(trifluoromethyl)pyridine-2-carboxamide
SMILESCC(C)(C)C1CC(n2cc3cc(NC(=O)c4cccc(C(F)(F)F)n4)c(OC4CCOC4)cc3n2)C1.CC(C)(O)C1CC(n2cc3cc(NC(=O)c4cccc(C(F)(F)F)n4)c(OCC4CC4)cc3n2)C1.CN1CCC(COc2cc3nn(C4CC(C(C)(C)C)C4)cc3cc2NC(=O)c2cccc(C(F)(F)F)n2)CC1.COc1cc2nn(C3CC(C(C)(C)C)C3)cc2cc1NC(=O)c1cccc(C(F)(F)F)n1.COc1cc2nn(CCN3CC(F)(F)C3)cc2cc1NC(=O)c1cccc(C(F)(F)F)n1
InChIInChI=1S/C29H36F3N5O2.C26H29F3N4O3.C25H27F3N4O3.C23H25F3N4O2.C20H18F5N5O2/c1-28(2,3)20-13-21(14-20)37-16-19-12-24(34-27(38)22-6-5-7-26(33-22)29(30,31)32)25(15-23(19)35-37)39-17-18-8-10-36(4)11-9-18;1-25(2,3)16-10-17(11-16)33-13-15-9-21(22(12-20(15)32-33)36-18-7-8-35-14-18)31-24(34)19-5-4-6-23(30-19)26(27,28)29;1-24(2,34)16-9-17(10-16)32-12-15-8-20(21(11-19(15)31-32)35-13-14-6-7-14)30-23(33)18-4-3-5-22(29-18)25(26,27)28;1-22(2,3)14-9-15(10-14)30-12-13-8-18(19(32-4)11-17(13)29-30)28-21(31)16-6-5-7-20(27-16)23(24,25)26;1-32-16-8-14-12(9-30(28-14)6-5-29-10-19(21,22)11-29)7-15(16)27-18(31)13-3-2-4-17(26-13)20(23,24)25/h5-7,12,15-16,18,20-21H,8-11,13-14,17H2,1-4H3,(H,34,38);4-6,9,12-13,16-18H,7-8,10-11,14H2,1-3H3,(H,31,34);3-5,8,11-12,14,16-17,34H,6-7,9-10,13H2,1-2H3,(H,30,33);5-8,11-12,14-15H,9-10H2,1-4H3,(H,28,31);2-4,7-9H,5-6,10-11H2,1H3,(H,27,31)
InChIKeyMSSDKNBVCINHQO-UHFFFAOYSA-N
XLogP26.87
TPSA381.14 Ų
H-Bond Donors6
H-Bond Acceptors29
Rotatable Bonds28
Heavy Atoms174
Complexity

Lipinski Rule of Five

4 violations

RuleValue
MW ≤ 5002436.54
LogP ≤ 526.87
H-Bond Donors ≤ 56
H-Bond Acceptors ≤ 1029

Analyze N-[2-(3-tert-butylcyclobutyl)-6-methoxyindazol-5-yl]-6-(trifluoromethyl)pyridine-2-carboxamide;N-[2-(3-tert-butylcyclobutyl)-6-[(1-methylpiperidin-4-yl)methoxy]indazol-5-yl]-6-(trifluoromethyl)pyridine-2-carboxamide;N-[2-(3-tert-butylcyclobutyl)-6-(oxolan-3-yloxy)indazol-5-yl]-6-(trifluoromethyl)pyridine-2-carboxamide;N-[6-(cyclopropylmethoxy)-2-[3-(2-hydroxypropan-2-yl)cyclobutyl]indazol-5-yl]-6-(trifluoromethyl)pyridine-2-carboxamide;N-[2-[2-(3,3-difluoroazetidin-1-yl)ethyl]-6-methoxyindazol-5-yl]-6-(trifluoromethyl)pyridine-2-carboxamide with MolForge

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Frequently Asked Questions

What is the IUPAC name of N-[2-(3-tert-butylcyclobutyl)-6-methoxyindazol-5-yl]-6-(trifluoromethyl)pyridine-2-carboxamide;N-[2-(3-tert-butylcyclobutyl)-6-[(1-methylpiperidin-4-yl)methoxy]indazol-5-yl]-6-(trifluoromethyl)pyridine-2-carboxamide;N-[2-(3-tert-butylcyclobutyl)-6-(oxolan-3-yloxy)indazol-5-yl]-6-(trifluoromethyl)pyridine-2-carboxamide;N-[6-(cyclopropylmethoxy)-2-[3-(2-hydroxypropan-2-yl)cyclobutyl]indazol-5-yl]-6-(trifluoromethyl)pyridine-2-carboxamide;N-[2-[2-(3,3-difluoroazetidin-1-yl)ethyl]-6-methoxyindazol-5-yl]-6-(trifluoromethyl)pyridine-2-carboxamide?
The IUPAC name of N-[2-(3-tert-butylcyclobutyl)-6-methoxyindazol-5-yl]-6-(trifluoromethyl)pyridine-2-carboxamide;N-[2-(3-tert-butylcyclobutyl)-6-[(1-methylpiperidin-4-yl)methoxy]indazol-5-yl]-6-(trifluoromethyl)pyridine-2-carboxamide;N-[2-(3-tert-butylcyclobutyl)-6-(oxolan-3-yloxy)indazol-5-yl]-6-(trifluoromethyl)pyridine-2-carboxamide;N-[6-(cyclopropylmethoxy)-2-[3-(2-hydroxypropan-2-yl)cyclobutyl]indazol-5-yl]-6-(trifluoromethyl)pyridine-2-carboxamide;N-[2-[2-(3,3-difluoroazetidin-1-yl)ethyl]-6-methoxyindazol-5-yl]-6-(trifluoromethyl)pyridine-2-carboxamide (CID 165031557) is N-[2-(3-tert-butylcyclobutyl)-6-methoxyindazol-5-yl]-6-(trifluoromethyl)pyridine-2-carboxamide;N-[2-(3-tert-butylcyclobutyl)-6-[(1-methylpiperidin-4-yl)methoxy]indazol-5-yl]-6-(trifluoromethyl)pyridine-2-carboxamide;N-[2-(3-tert-butylcyclobutyl)-6-(oxolan-3-yloxy)indazol-5-yl]-6-(trifluoromethyl)pyridine-2-carboxamide;N-[6-(cyclopropylmethoxy)-2-[3-(2-hydroxypropan-2-yl)cyclobutyl]indazol-5-yl]-6-(trifluoromethyl)pyridine-2-carboxamide;N-[2-[2-(3,3-difluoroazetidin-1-yl)ethyl]-6-methoxyindazol-5-yl]-6-(trifluoromethyl)pyridine-2-carboxamide.
What is the SMILES notation for N-[2-(3-tert-butylcyclobutyl)-6-methoxyindazol-5-yl]-6-(trifluoromethyl)pyridine-2-carboxamide;N-[2-(3-tert-butylcyclobutyl)-6-[(1-methylpiperidin-4-yl)methoxy]indazol-5-yl]-6-(trifluoromethyl)pyridine-2-carboxamide;N-[2-(3-tert-butylcyclobutyl)-6-(oxolan-3-yloxy)indazol-5-yl]-6-(trifluoromethyl)pyridine-2-carboxamide;N-[6-(cyclopropylmethoxy)-2-[3-(2-hydroxypropan-2-yl)cyclobutyl]indazol-5-yl]-6-(trifluoromethyl)pyridine-2-carboxamide;N-[2-[2-(3,3-difluoroazetidin-1-yl)ethyl]-6-methoxyindazol-5-yl]-6-(trifluoromethyl)pyridine-2-carboxamide?
The canonical SMILES for N-[2-(3-tert-butylcyclobutyl)-6-methoxyindazol-5-yl]-6-(trifluoromethyl)pyridine-2-carboxamide;N-[2-(3-tert-butylcyclobutyl)-6-[(1-methylpiperidin-4-yl)methoxy]indazol-5-yl]-6-(trifluoromethyl)pyridine-2-carboxamide;N-[2-(3-tert-butylcyclobutyl)-6-(oxolan-3-yloxy)indazol-5-yl]-6-(trifluoromethyl)pyridine-2-carboxamide;N-[6-(cyclopropylmethoxy)-2-[3-(2-hydroxypropan-2-yl)cyclobutyl]indazol-5-yl]-6-(trifluoromethyl)pyridine-2-carboxamide;N-[2-[2-(3,3-difluoroazetidin-1-yl)ethyl]-6-methoxyindazol-5-yl]-6-(trifluoromethyl)pyridine-2-carboxamide is CC(C)(C)C1CC(n2cc3cc(NC(=O)c4cccc(C(F)(F)F)n4)c(OC4CCOC4)cc3n2)C1.CC(C)(O)C1CC(n2cc3cc(NC(=O)c4cccc(C(F)(F)F)n4)c(OCC4CC4)cc3n2)C1.CN1CCC(COc2cc3nn(C4CC(C(C)(C)C)C4)cc3cc2NC(=O)c2cccc(C(F)(F)F)n2)CC1.COc1cc2nn(C3CC(C(C)(C)C)C3)cc2cc1NC(=O)c1cccc(C(F)(F)F)n1.COc1cc2nn(CCN3CC(F)(F)C3)cc2cc1NC(=O)c1cccc(C(F)(F)F)n1.
What is the InChIKey of N-[2-(3-tert-butylcyclobutyl)-6-methoxyindazol-5-yl]-6-(trifluoromethyl)pyridine-2-carboxamide;N-[2-(3-tert-butylcyclobutyl)-6-[(1-methylpiperidin-4-yl)methoxy]indazol-5-yl]-6-(trifluoromethyl)pyridine-2-carboxamide;N-[2-(3-tert-butylcyclobutyl)-6-(oxolan-3-yloxy)indazol-5-yl]-6-(trifluoromethyl)pyridine-2-carboxamide;N-[6-(cyclopropylmethoxy)-2-[3-(2-hydroxypropan-2-yl)cyclobutyl]indazol-5-yl]-6-(trifluoromethyl)pyridine-2-carboxamide;N-[2-[2-(3,3-difluoroazetidin-1-yl)ethyl]-6-methoxyindazol-5-yl]-6-(trifluoromethyl)pyridine-2-carboxamide?
The InChIKey is MSSDKNBVCINHQO-UHFFFAOYSA-N. The full InChI is InChI=1S/C29H36F3N5O2.C26H29F3N4O3.C25H27F3N4O3.C23H25F3N4O2.C20H18F5N5O2/c1-28(2,3)20-13-21(14-20)37-16-19-12-24(34-27(38)22-6-5-7-26(33-22)29(30,31)32)25(15-23(19)35-37)39-17-18-8-10-36(4)11-9-18;1-25(2,3)16-10-17(11-16)33-13-15-9-21(22(12-20(15)32-33)36-18-7-8-35-14-18)31-24(34)19-5-4-6-23(30-19)26(27,28)29;1-24(2,34)16-9-17(10-16)32-12-15-8-20(21(11-19(15)31-32)35-13-14-6-7-14)30-23(33)18-4-3-5-22(29-18)25(26,27)28;1-22(2,3)14-9-15(10-14)30-12-13-8-18(19(32-4)11-17(13)29-30)28-21(31)16-6-5-7-20(27-16)23(24,25)26;1-32-16-8-14-12(9-30(28-14)6-5-29-10-19(21,22)11-29)7-15(16)27-18(31)13-3-2-4-17(26-13)20(23,24)25/h5-7,12,15-16,18,20-21H,8-11,13-14,17H2,1-4H3,(H,34,38);4-6,9,12-13,16-18H,7-8,10-11,14H2,1-3H3,(H,31,34);3-5,8,11-12,14,16-17,34H,6-7,9-10,13H2,1-2H3,(H,30,33);5-8,11-12,14-15H,9-10H2,1-4H3,(H,28,31);2-4,7-9H,5-6,10-11H2,1H3,(H,27,31).
What are the key properties of N-[2-(3-tert-butylcyclobutyl)-6-methoxyindazol-5-yl]-6-(trifluoromethyl)pyridine-2-carboxamide;N-[2-(3-tert-butylcyclobutyl)-6-[(1-methylpiperidin-4-yl)methoxy]indazol-5-yl]-6-(trifluoromethyl)pyridine-2-carboxamide;N-[2-(3-tert-butylcyclobutyl)-6-(oxolan-3-yloxy)indazol-5-yl]-6-(trifluoromethyl)pyridine-2-carboxamide;N-[6-(cyclopropylmethoxy)-2-[3-(2-hydroxypropan-2-yl)cyclobutyl]indazol-5-yl]-6-(trifluoromethyl)pyridine-2-carboxamide;N-[2-[2-(3,3-difluoroazetidin-1-yl)ethyl]-6-methoxyindazol-5-yl]-6-(trifluoromethyl)pyridine-2-carboxamide?
N-[2-(3-tert-butylcyclobutyl)-6-methoxyindazol-5-yl]-6-(trifluoromethyl)pyridine-2-carboxamide;N-[2-(3-tert-butylcyclobutyl)-6-[(1-methylpiperidin-4-yl)methoxy]indazol-5-yl]-6-(trifluoromethyl)pyridine-2-carboxamide;N-[2-(3-tert-butylcyclobutyl)-6-(oxolan-3-yloxy)indazol-5-yl]-6-(trifluoromethyl)pyridine-2-carboxamide;N-[6-(cyclopropylmethoxy)-2-[3-(2-hydroxypropan-2-yl)cyclobutyl]indazol-5-yl]-6-(trifluoromethyl)pyridine-2-carboxamide;N-[2-[2-(3,3-difluoroazetidin-1-yl)ethyl]-6-methoxyindazol-5-yl]-6-(trifluoromethyl)pyridine-2-carboxamide has a molecular weight of 2436.54 g/mol, XLogP of 26.87, 28 rotatable bonds, 6 hydrogen bond donors, and 29 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-(3-tert-butylcyclobutyl)-6-methoxyindazol-5-yl]-6-(trifluoromethyl)pyridine-2-carboxamide;N-[2-(3-tert-butylcyclobutyl)-6-[(1-methylpiperidin-4-yl)methoxy]indazol-5-yl]-6-(trifluoromethyl)pyridine-2-carboxamide;N-[2-(3-tert-butylcyclobutyl)-6-(oxolan-3-yloxy)indazol-5-yl]-6-(trifluoromethyl)pyridine-2-carboxamide;N-[6-(cyclopropylmethoxy)-2-[3-(2-hydroxypropan-2-yl)cyclobutyl]indazol-5-yl]-6-(trifluoromethyl)pyridine-2-carboxamide;N-[2-[2-(3,3-difluoroazetidin-1-yl)ethyl]-6-methoxyindazol-5-yl]-6-(trifluoromethyl)pyridine-2-carboxamide is sourced from PubChem (CID 165031557), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).