(5-chloro-4,6-difluoro-1H-indazol-7-yl)-(1-methylcyclohexyl)methanol;1-(5-chloro-1H-indazol-7-yl)-2-cyclobutyl-2-methylpropan-1-ol;1-(5-chloro-1H-indazol-7-yl)-3,3-dicyclopropylcyclobutan-1-ol;4-[(1S)-1-(5-chloro-1H-indazol-7-yl)-1-hydroxy-2-methylpropan-2-yl]-N-(6-cyano-3-pyridinyl)piperidine-1-carboxamide;4-[(1S)-1-(5-chloro-1H-indazol-7-yl)-1-hydroxy-2-methylpropan-2-yl]-N-ethoxypiperidine-1-carboxamide;(5-chloro-1H-indazol-7-yl)-(1-propylcyclobutyl)methanol;(5-chloro-1H-indazol-7-yl)-[1-(trifluoromethyl)cyclobutyl]methanol

C117H138Cl7F5N20O10 — CID 159678870

IUPAC(5-chloro-4,6-difluoro-1H-indazol-7-yl)-(1-methylcyclohexyl)methanol;1-(5-chloro-1H-indazol-7-yl)-2-cyclobutyl-2-methylpropan-1-ol;1-(5-chloro-1H-indazol-7-yl)-3,3-dicyclopropylcyclobutan-1-ol;4-[(1S)-1-(5-chloro-1H-indazol-7-yl)-1-hydroxy-2-methylpropan-2-yl]-N-(6-cyano-3-pyridinyl)piperidine-1-carboxamide;4-[(1S)-1-(5-chloro-1H-indazol-7-yl)-1-hydroxy-2-methylpropan-2-yl]-N-ethoxypiperidine-1-carboxamide;(5-chloro-1H-indazol-7-yl)-(1-propylcyclobutyl)methanol;(5-chloro-1H-indazol-7-yl)-[1-(trifluoromethyl)cyclobutyl]methanol
SMILESCC(C)(C1CCC1)C(O)c1cc(Cl)cc2cn[nH]c12.CC(C)(C1CCN(C(=O)Nc2ccc(C#N)nc2)CC1)[C@H](O)c1cc(Cl)cc2cn[nH]c12.CC1(C(O)c2c(F)c(Cl)c(F)c3cn[nH]c23)CCCCC1.CCCC1(C(O)c2cc(Cl)cc3cn[nH]c23)CCC1.CCONC(=O)N1CCC(C(C)(C)[C@H](O)c2cc(Cl)cc3cn[nH]c23)CC1.OC(c1cc(Cl)cc2cn[nH]c12)C1(C(F)(F)F)CCC1.OC1(c2cc(Cl)cc3cn[nH]c23)CC(C2CC2)(C2CC2)C1
InChIInChI=1S/C23H25ClN6O2.C19H27ClN4O3.C17H19ClN2O.C15H17ClF2N2O.2C15H19ClN2O.C13H12ClF3N2O/c1-23(2,21(31)19-10-16(24)9-14-12-27-29-20(14)19)15-5-7-30(8-6-15)22(32)28-18-4-3-17(11-25)26-13-18;1-4-27-23-18(26)24-7-5-13(6-8-24)19(2,3)17(25)15-10-14(20)9-12-11-21-22-16(12)15;18-13-5-10-7-19-20-15(10)14(6-13)17(21)8-16(9-17,11-1-2-11)12-3-4-12;1-15(5-3-2-4-6-15)14(21)9-12(18)10(16)11(17)8-7-19-20-13(8)9;1-15(2,10-4-3-5-10)14(19)12-7-11(16)6-9-8-17-18-13(9)12;1-2-4-15(5-3-6-15)14(19)12-8-11(16)7-10-9-17-18-13(10)12;14-8-4-7-6-18-19-10(7)9(5-8)11(20)12(2-1-3-12)13(15,16)17/h3-4,9-10,12-13,15,21,31H,5-8H2,1-2H3,(H,27,29)(H,28,32);9-11,13,17,25H,4-8H2,1-3H3,(H,21,22)(H,23,26);5-7,11-12,21H,1-4,8-9H2,(H,19,20);7,14,21H,2-6H2,1H3,(H,19,20);6-8,10,14,19H,3-5H2,1-2H3,(H,17,18);7-9,14,19H,2-6H2,1H3,(H,17,18);4-6,11,20H,1-3H2,(H,18,19)/t21-;17-;;;;;/m11...../s1
InChIKeyMUYOOJSCKQHPBE-GNZCZHQHSA-N
MW2327.68 g/mol
LogP28.92
Rot. Bonds23

About (5-chloro-4,6-difluoro-1H-indazol-7-yl)-(1-methylcyclohexyl)methanol;1-(5-chloro-1H-indazol-7-yl)-2-cyclobutyl-2-methylpropan-1-ol;1-(5-chloro-1H-indazol-7-yl)-3,3-dicyclopropylcyclobutan-1-ol;4-[(1S)-1-(5-chloro-1H-indazol-7-yl)-1-hydroxy-2-methylpropan-2-yl]-N-(6-cyano-3-pyridinyl)piperidine-1-carboxamide;4-[(1S)-1-(5-chloro-1H-indazol-7-yl)-1-hydroxy-2-methylpropan-2-yl]-N-ethoxypiperidine-1-carboxamide;(5-chloro-1H-indazol-7-yl)-(1-propylcyclobutyl)methanol;(5-chloro-1H-indazol-7-yl)-[1-(trifluoromethyl)cyclobutyl]methanol

(5-chloro-4,6-difluoro-1H-indazol-7-yl)-(1-methylcyclohexyl)methanol;1-(5-chloro-1H-indazol-7-yl)-2-cyclobutyl-2-methylpropan-1-ol;1-(5-chloro-1H-indazol-7-yl)-3,3-dicyclopropylcyclobutan-1-ol;4-[(1S)-1-(5-chloro-1H-indazol-7-yl)-1-hydroxy-2-methylpropan-2-yl]-N-(6-cyano-3-pyridinyl)piperidine-1-carboxamide;4-[(1S)-1-(5-chloro-1H-indazol-7-yl)-1-hydroxy-2-methylpropan-2-yl]-N-ethoxypiperidine-1-carboxamide;(5-chloro-1H-indazol-7-yl)-(1-propylcyclobutyl)methanol;(5-chloro-1H-indazol-7-yl)-[1-(trifluoromethyl)cyclobutyl]methanol (PubChem CID 159678870) has the molecular formula C117H138Cl7F5N20O10 and a molecular weight of 2327.68 g/mol. Its IUPAC name is (5-chloro-4,6-difluoro-1H-indazol-7-yl)-(1-methylcyclohexyl)methanol;1-(5-chloro-1H-indazol-7-yl)-2-cyclobutyl-2-methylpropan-1-ol;1-(5-chloro-1H-indazol-7-yl)-3,3-dicyclopropylcyclobutan-1-ol;4-[(1S)-1-(5-chloro-1H-indazol-7-yl)-1-hydroxy-2-methylpropan-2-yl]-N-(6-cyano-3-pyridinyl)piperidine-1-carboxamide;4-[(1S)-1-(5-chloro-1H-indazol-7-yl)-1-hydroxy-2-methylpropan-2-yl]-N-ethoxypiperidine-1-carboxamide;(5-chloro-1H-indazol-7-yl)-(1-propylcyclobutyl)methanol;(5-chloro-1H-indazol-7-yl)-[1-(trifluoromethyl)cyclobutyl]methanol.

Molecular Properties

Compound Name(5-chloro-4,6-difluoro-1H-indazol-7-yl)-(1-methylcyclohexyl)methanol;1-(5-chloro-1H-indazol-7-yl)-2-cyclobutyl-2-methylpropan-1-ol;1-(5-chloro-1H-indazol-7-yl)-3,3-dicyclopropylcyclobutan-1-ol;4-[(1S)-1-(5-chloro-1H-indazol-7-yl)-1-hydroxy-2-methylpropan-2-yl]-N-(6-cyano-3-pyridinyl)piperidine-1-carboxamide;4-[(1S)-1-(5-chloro-1H-indazol-7-yl)-1-hydroxy-2-methylpropan-2-yl]-N-ethoxypiperidine-1-carboxamide;(5-chloro-1H-indazol-7-yl)-(1-propylcyclobutyl)methanol;(5-chloro-1H-indazol-7-yl)-[1-(trifluoromethyl)cyclobutyl]methanol
PubChem CID159678870
Molecular FormulaC117H138Cl7F5N20O10
Molecular Weight2327.68 g/mol
Exact Mass2322.86
IUPAC Name(5-chloro-4,6-difluoro-1H-indazol-7-yl)-(1-methylcyclohexyl)methanol;1-(5-chloro-1H-indazol-7-yl)-2-cyclobutyl-2-methylpropan-1-ol;1-(5-chloro-1H-indazol-7-yl)-3,3-dicyclopropylcyclobutan-1-ol;4-[(1S)-1-(5-chloro-1H-indazol-7-yl)-1-hydroxy-2-methylpropan-2-yl]-N-(6-cyano-3-pyridinyl)piperidine-1-carboxamide;4-[(1S)-1-(5-chloro-1H-indazol-7-yl)-1-hydroxy-2-methylpropan-2-yl]-N-ethoxypiperidine-1-carboxamide;(5-chloro-1H-indazol-7-yl)-(1-propylcyclobutyl)methanol;(5-chloro-1H-indazol-7-yl)-[1-(trifluoromethyl)cyclobutyl]methanol
SMILESCC(C)(C1CCC1)C(O)c1cc(Cl)cc2cn[nH]c12.CC(C)(C1CCN(C(=O)Nc2ccc(C#N)nc2)CC1)[C@H](O)c1cc(Cl)cc2cn[nH]c12.CC1(C(O)c2c(F)c(Cl)c(F)c3cn[nH]c23)CCCCC1.CCCC1(C(O)c2cc(Cl)cc3cn[nH]c23)CCC1.CCONC(=O)N1CCC(C(C)(C)[C@H](O)c2cc(Cl)cc3cn[nH]c23)CC1.OC(c1cc(Cl)cc2cn[nH]c12)C1(C(F)(F)F)CCC1.OC1(c2cc(Cl)cc3cn[nH]c23)CC(C2CC2)(C2CC2)C1
InChIInChI=1S/C23H25ClN6O2.C19H27ClN4O3.C17H19ClN2O.C15H17ClF2N2O.2C15H19ClN2O.C13H12ClF3N2O/c1-23(2,21(31)19-10-16(24)9-14-12-27-29-20(14)19)15-5-7-30(8-6-15)22(32)28-18-4-3-17(11-25)26-13-18;1-4-27-23-18(26)24-7-5-13(6-8-24)19(2,3)17(25)15-10-14(20)9-12-11-21-22-16(12)15;18-13-5-10-7-19-20-15(10)14(6-13)17(21)8-16(9-17,11-1-2-11)12-3-4-12;1-15(5-3-2-4-6-15)14(21)9-12(18)10(16)11(17)8-7-19-20-13(8)9;1-15(2,10-4-3-5-10)14(19)12-7-11(16)6-9-8-17-18-13(9)12;1-2-4-15(5-3-6-15)14(19)12-8-11(16)7-10-9-17-18-13(10)12;14-8-4-7-6-18-19-10(7)9(5-8)11(20)12(2-1-3-12)13(15,16)17/h3-4,9-10,12-13,15,21,31H,5-8H2,1-2H3,(H,27,29)(H,28,32);9-11,13,17,25H,4-8H2,1-3H3,(H,21,22)(H,23,26);5-7,11-12,21H,1-4,8-9H2,(H,19,20);7,14,21H,2-6H2,1H3,(H,19,20);6-8,10,14,19H,3-5H2,1-2H3,(H,17,18);7-9,14,19H,2-6H2,1H3,(H,17,18);4-6,11,20H,1-3H2,(H,18,19)/t21-;17-;;;;;/m11...../s1
InChIKeyMUYOOJSCKQHPBE-GNZCZHQHSA-N
XLogP28.92
TPSA452.96 Ų
H-Bond Donors16
H-Bond Acceptors19
Rotatable Bonds23
Heavy Atoms159
Complexity

Lipinski Rule of Five

4 violations

RuleValue
MW ≤ 5002327.68
LogP ≤ 528.92
H-Bond Donors ≤ 516
H-Bond Acceptors ≤ 1019

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'halogenated_ring_2', 'substructure': 'N/A'}, {'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}

Analyze (5-chloro-4,6-difluoro-1H-indazol-7-yl)-(1-methylcyclohexyl)methanol;1-(5-chloro-1H-indazol-7-yl)-2-cyclobutyl-2-methylpropan-1-ol;1-(5-chloro-1H-indazol-7-yl)-3,3-dicyclopropylcyclobutan-1-ol;4-[(1S)-1-(5-chloro-1H-indazol-7-yl)-1-hydroxy-2-methylpropan-2-yl]-N-(6-cyano-3-pyridinyl)piperidine-1-carboxamide;4-[(1S)-1-(5-chloro-1H-indazol-7-yl)-1-hydroxy-2-methylpropan-2-yl]-N-ethoxypiperidine-1-carboxamide;(5-chloro-1H-indazol-7-yl)-(1-propylcyclobutyl)methanol;(5-chloro-1H-indazol-7-yl)-[1-(trifluoromethyl)cyclobutyl]methanol with MolForge

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Frequently Asked Questions

What is the IUPAC name of (5-chloro-4,6-difluoro-1H-indazol-7-yl)-(1-methylcyclohexyl)methanol;1-(5-chloro-1H-indazol-7-yl)-2-cyclobutyl-2-methylpropan-1-ol;1-(5-chloro-1H-indazol-7-yl)-3,3-dicyclopropylcyclobutan-1-ol;4-[(1S)-1-(5-chloro-1H-indazol-7-yl)-1-hydroxy-2-methylpropan-2-yl]-N-(6-cyano-3-pyridinyl)piperidine-1-carboxamide;4-[(1S)-1-(5-chloro-1H-indazol-7-yl)-1-hydroxy-2-methylpropan-2-yl]-N-ethoxypiperidine-1-carboxamide;(5-chloro-1H-indazol-7-yl)-(1-propylcyclobutyl)methanol;(5-chloro-1H-indazol-7-yl)-[1-(trifluoromethyl)cyclobutyl]methanol?
The IUPAC name of (5-chloro-4,6-difluoro-1H-indazol-7-yl)-(1-methylcyclohexyl)methanol;1-(5-chloro-1H-indazol-7-yl)-2-cyclobutyl-2-methylpropan-1-ol;1-(5-chloro-1H-indazol-7-yl)-3,3-dicyclopropylcyclobutan-1-ol;4-[(1S)-1-(5-chloro-1H-indazol-7-yl)-1-hydroxy-2-methylpropan-2-yl]-N-(6-cyano-3-pyridinyl)piperidine-1-carboxamide;4-[(1S)-1-(5-chloro-1H-indazol-7-yl)-1-hydroxy-2-methylpropan-2-yl]-N-ethoxypiperidine-1-carboxamide;(5-chloro-1H-indazol-7-yl)-(1-propylcyclobutyl)methanol;(5-chloro-1H-indazol-7-yl)-[1-(trifluoromethyl)cyclobutyl]methanol (CID 159678870) is (5-chloro-4,6-difluoro-1H-indazol-7-yl)-(1-methylcyclohexyl)methanol;1-(5-chloro-1H-indazol-7-yl)-2-cyclobutyl-2-methylpropan-1-ol;1-(5-chloro-1H-indazol-7-yl)-3,3-dicyclopropylcyclobutan-1-ol;4-[(1S)-1-(5-chloro-1H-indazol-7-yl)-1-hydroxy-2-methylpropan-2-yl]-N-(6-cyano-3-pyridinyl)piperidine-1-carboxamide;4-[(1S)-1-(5-chloro-1H-indazol-7-yl)-1-hydroxy-2-methylpropan-2-yl]-N-ethoxypiperidine-1-carboxamide;(5-chloro-1H-indazol-7-yl)-(1-propylcyclobutyl)methanol;(5-chloro-1H-indazol-7-yl)-[1-(trifluoromethyl)cyclobutyl]methanol.
What is the SMILES notation for (5-chloro-4,6-difluoro-1H-indazol-7-yl)-(1-methylcyclohexyl)methanol;1-(5-chloro-1H-indazol-7-yl)-2-cyclobutyl-2-methylpropan-1-ol;1-(5-chloro-1H-indazol-7-yl)-3,3-dicyclopropylcyclobutan-1-ol;4-[(1S)-1-(5-chloro-1H-indazol-7-yl)-1-hydroxy-2-methylpropan-2-yl]-N-(6-cyano-3-pyridinyl)piperidine-1-carboxamide;4-[(1S)-1-(5-chloro-1H-indazol-7-yl)-1-hydroxy-2-methylpropan-2-yl]-N-ethoxypiperidine-1-carboxamide;(5-chloro-1H-indazol-7-yl)-(1-propylcyclobutyl)methanol;(5-chloro-1H-indazol-7-yl)-[1-(trifluoromethyl)cyclobutyl]methanol?
The canonical SMILES for (5-chloro-4,6-difluoro-1H-indazol-7-yl)-(1-methylcyclohexyl)methanol;1-(5-chloro-1H-indazol-7-yl)-2-cyclobutyl-2-methylpropan-1-ol;1-(5-chloro-1H-indazol-7-yl)-3,3-dicyclopropylcyclobutan-1-ol;4-[(1S)-1-(5-chloro-1H-indazol-7-yl)-1-hydroxy-2-methylpropan-2-yl]-N-(6-cyano-3-pyridinyl)piperidine-1-carboxamide;4-[(1S)-1-(5-chloro-1H-indazol-7-yl)-1-hydroxy-2-methylpropan-2-yl]-N-ethoxypiperidine-1-carboxamide;(5-chloro-1H-indazol-7-yl)-(1-propylcyclobutyl)methanol;(5-chloro-1H-indazol-7-yl)-[1-(trifluoromethyl)cyclobutyl]methanol is CC(C)(C1CCC1)C(O)c1cc(Cl)cc2cn[nH]c12.CC(C)(C1CCN(C(=O)Nc2ccc(C#N)nc2)CC1)[C@H](O)c1cc(Cl)cc2cn[nH]c12.CC1(C(O)c2c(F)c(Cl)c(F)c3cn[nH]c23)CCCCC1.CCCC1(C(O)c2cc(Cl)cc3cn[nH]c23)CCC1.CCONC(=O)N1CCC(C(C)(C)[C@H](O)c2cc(Cl)cc3cn[nH]c23)CC1.OC(c1cc(Cl)cc2cn[nH]c12)C1(C(F)(F)F)CCC1.OC1(c2cc(Cl)cc3cn[nH]c23)CC(C2CC2)(C2CC2)C1.
What is the InChIKey of (5-chloro-4,6-difluoro-1H-indazol-7-yl)-(1-methylcyclohexyl)methanol;1-(5-chloro-1H-indazol-7-yl)-2-cyclobutyl-2-methylpropan-1-ol;1-(5-chloro-1H-indazol-7-yl)-3,3-dicyclopropylcyclobutan-1-ol;4-[(1S)-1-(5-chloro-1H-indazol-7-yl)-1-hydroxy-2-methylpropan-2-yl]-N-(6-cyano-3-pyridinyl)piperidine-1-carboxamide;4-[(1S)-1-(5-chloro-1H-indazol-7-yl)-1-hydroxy-2-methylpropan-2-yl]-N-ethoxypiperidine-1-carboxamide;(5-chloro-1H-indazol-7-yl)-(1-propylcyclobutyl)methanol;(5-chloro-1H-indazol-7-yl)-[1-(trifluoromethyl)cyclobutyl]methanol?
The InChIKey is MUYOOJSCKQHPBE-GNZCZHQHSA-N. The full InChI is InChI=1S/C23H25ClN6O2.C19H27ClN4O3.C17H19ClN2O.C15H17ClF2N2O.2C15H19ClN2O.C13H12ClF3N2O/c1-23(2,21(31)19-10-16(24)9-14-12-27-29-20(14)19)15-5-7-30(8-6-15)22(32)28-18-4-3-17(11-25)26-13-18;1-4-27-23-18(26)24-7-5-13(6-8-24)19(2,3)17(25)15-10-14(20)9-12-11-21-22-16(12)15;18-13-5-10-7-19-20-15(10)14(6-13)17(21)8-16(9-17,11-1-2-11)12-3-4-12;1-15(5-3-2-4-6-15)14(21)9-12(18)10(16)11(17)8-7-19-20-13(8)9;1-15(2,10-4-3-5-10)14(19)12-7-11(16)6-9-8-17-18-13(9)12;1-2-4-15(5-3-6-15)14(19)12-8-11(16)7-10-9-17-18-13(10)12;14-8-4-7-6-18-19-10(7)9(5-8)11(20)12(2-1-3-12)13(15,16)17/h3-4,9-10,12-13,15,21,31H,5-8H2,1-2H3,(H,27,29)(H,28,32);9-11,13,17,25H,4-8H2,1-3H3,(H,21,22)(H,23,26);5-7,11-12,21H,1-4,8-9H2,(H,19,20);7,14,21H,2-6H2,1H3,(H,19,20);6-8,10,14,19H,3-5H2,1-2H3,(H,17,18);7-9,14,19H,2-6H2,1H3,(H,17,18);4-6,11,20H,1-3H2,(H,18,19)/t21-;17-;;;;;/m11...../s1.
What are the key properties of (5-chloro-4,6-difluoro-1H-indazol-7-yl)-(1-methylcyclohexyl)methanol;1-(5-chloro-1H-indazol-7-yl)-2-cyclobutyl-2-methylpropan-1-ol;1-(5-chloro-1H-indazol-7-yl)-3,3-dicyclopropylcyclobutan-1-ol;4-[(1S)-1-(5-chloro-1H-indazol-7-yl)-1-hydroxy-2-methylpropan-2-yl]-N-(6-cyano-3-pyridinyl)piperidine-1-carboxamide;4-[(1S)-1-(5-chloro-1H-indazol-7-yl)-1-hydroxy-2-methylpropan-2-yl]-N-ethoxypiperidine-1-carboxamide;(5-chloro-1H-indazol-7-yl)-(1-propylcyclobutyl)methanol;(5-chloro-1H-indazol-7-yl)-[1-(trifluoromethyl)cyclobutyl]methanol?
(5-chloro-4,6-difluoro-1H-indazol-7-yl)-(1-methylcyclohexyl)methanol;1-(5-chloro-1H-indazol-7-yl)-2-cyclobutyl-2-methylpropan-1-ol;1-(5-chloro-1H-indazol-7-yl)-3,3-dicyclopropylcyclobutan-1-ol;4-[(1S)-1-(5-chloro-1H-indazol-7-yl)-1-hydroxy-2-methylpropan-2-yl]-N-(6-cyano-3-pyridinyl)piperidine-1-carboxamide;4-[(1S)-1-(5-chloro-1H-indazol-7-yl)-1-hydroxy-2-methylpropan-2-yl]-N-ethoxypiperidine-1-carboxamide;(5-chloro-1H-indazol-7-yl)-(1-propylcyclobutyl)methanol;(5-chloro-1H-indazol-7-yl)-[1-(trifluoromethyl)cyclobutyl]methanol has a molecular weight of 2327.68 g/mol, XLogP of 28.92, 23 rotatable bonds, 16 hydrogen bond donors, and 19 hydrogen bond acceptors.
Where does this data come from?
All data for (5-chloro-4,6-difluoro-1H-indazol-7-yl)-(1-methylcyclohexyl)methanol;1-(5-chloro-1H-indazol-7-yl)-2-cyclobutyl-2-methylpropan-1-ol;1-(5-chloro-1H-indazol-7-yl)-3,3-dicyclopropylcyclobutan-1-ol;4-[(1S)-1-(5-chloro-1H-indazol-7-yl)-1-hydroxy-2-methylpropan-2-yl]-N-(6-cyano-3-pyridinyl)piperidine-1-carboxamide;4-[(1S)-1-(5-chloro-1H-indazol-7-yl)-1-hydroxy-2-methylpropan-2-yl]-N-ethoxypiperidine-1-carboxamide;(5-chloro-1H-indazol-7-yl)-(1-propylcyclobutyl)methanol;(5-chloro-1H-indazol-7-yl)-[1-(trifluoromethyl)cyclobutyl]methanol is sourced from PubChem (CID 159678870), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).