9-(5-chloro-1H-indazol-7-yl)bicyclo[3.3.1]nonan-9-ol;4-[1-(5-chloro-1H-indazol-7-yl)-1-hydroxy-2-methylpropan-2-yl]-N-(2-chloro-5-methylphenyl)piperidine-1-carboxamide;4-[1-(5-chloro-1H-indazol-7-yl)-1-hydroxy-2-methylpropan-2-yl]-N-[4-(1,1-difluoroethoxy)phenyl]piperidine-1-carboxamide;4-[1-(5-chloro-1H-indazol-7-yl)-1-hydroxy-2-methylpropan-2-yl]-N-(2-fluoro-5-methylphenyl)piperidine-1-carboxamide;ethyl N-[4-[1-(5-chloro-1H-indazol-7-yl)-1-hydroxy-2-methylpropan-2-yl]piperidine-1-carbonyl]carbamate

C109H131Cl6F3N18O12 — CID 157405797

IUPAC9-(5-chloro-1H-indazol-7-yl)bicyclo[3.3.1]nonan-9-ol;4-[1-(5-chloro-1H-indazol-7-yl)-1-hydroxy-2-methylpropan-2-yl]-N-(2-chloro-5-methylphenyl)piperidine-1-carboxamide;4-[1-(5-chloro-1H-indazol-7-yl)-1-hydroxy-2-methylpropan-2-yl]-N-[4-(1,1-difluoroethoxy)phenyl]piperidine-1-carboxamide;4-[1-(5-chloro-1H-indazol-7-yl)-1-hydroxy-2-methylpropan-2-yl]-N-(2-fluoro-5-methylphenyl)piperidine-1-carboxamide;ethyl N-[4-[1-(5-chloro-1H-indazol-7-yl)-1-hydroxy-2-methylpropan-2-yl]piperidine-1-carbonyl]carbamate
SMILESCC(F)(F)Oc1ccc(NC(=O)N2CCC(C(C)(C)C(O)c3cc(Cl)cc4cn[nH]c34)CC2)cc1.CCOC(=O)NC(=O)N1CCC(C(C)(C)C(O)c2cc(Cl)cc3cn[nH]c23)CC1.Cc1ccc(Cl)c(NC(=O)N2CCC(C(C)(C)C(O)c3cc(Cl)cc4cn[nH]c34)CC2)c1.Cc1ccc(F)c(NC(=O)N2CCC(C(C)(C)C(O)c3cc(Cl)cc4cn[nH]c34)CC2)c1.OC1(c2cc(Cl)cc3cn[nH]c23)C2CCCC1CCC2
InChIInChI=1S/C25H29ClF2N4O3.C24H28Cl2N4O2.C24H28ClFN4O2.C20H27ClN4O4.C16H19ClN2O/c1-24(2,22(33)20-13-17(26)12-15-14-29-31-21(15)20)16-8-10-32(11-9-16)23(34)30-18-4-6-19(7-5-18)35-25(3,27)28;2*1-14-4-5-19(26)20(10-14)28-23(32)30-8-6-16(7-9-30)24(2,3)22(31)18-12-17(25)11-15-13-27-29-21(15)18;1-4-29-19(28)23-18(27)25-7-5-13(6-8-25)20(2,3)17(26)15-10-14(21)9-12-11-22-24-16(12)15;17-13-7-10-9-18-19-15(10)14(8-13)16(20)11-3-1-4-12(16)6-2-5-11/h4-7,12-14,16,22,33H,8-11H2,1-3H3,(H,29,31)(H,30,34);2*4-5,10-13,16,22,31H,6-9H2,1-3H3,(H,27,29)(H,28,32);9-11,13,17,26H,4-8H2,1-3H3,(H,22,24)(H,23,27,28);7-9,11-12,20H,1-6H2,(H,18,19)
InChIKeyBNRWDZJBHFSOJR-UHFFFAOYSA-N
MW2155.07 g/mol
LogP25.92
Rot. Bonds19

About 9-(5-chloro-1H-indazol-7-yl)bicyclo[3.3.1]nonan-9-ol;4-[1-(5-chloro-1H-indazol-7-yl)-1-hydroxy-2-methylpropan-2-yl]-N-(2-chloro-5-methylphenyl)piperidine-1-carboxamide;4-[1-(5-chloro-1H-indazol-7-yl)-1-hydroxy-2-methylpropan-2-yl]-N-[4-(1,1-difluoroethoxy)phenyl]piperidine-1-carboxamide;4-[1-(5-chloro-1H-indazol-7-yl)-1-hydroxy-2-methylpropan-2-yl]-N-(2-fluoro-5-methylphenyl)piperidine-1-carboxamide;ethyl N-[4-[1-(5-chloro-1H-indazol-7-yl)-1-hydroxy-2-methylpropan-2-yl]piperidine-1-carbonyl]carbamate

9-(5-chloro-1H-indazol-7-yl)bicyclo[3.3.1]nonan-9-ol;4-[1-(5-chloro-1H-indazol-7-yl)-1-hydroxy-2-methylpropan-2-yl]-N-(2-chloro-5-methylphenyl)piperidine-1-carboxamide;4-[1-(5-chloro-1H-indazol-7-yl)-1-hydroxy-2-methylpropan-2-yl]-N-[4-(1,1-difluoroethoxy)phenyl]piperidine-1-carboxamide;4-[1-(5-chloro-1H-indazol-7-yl)-1-hydroxy-2-methylpropan-2-yl]-N-(2-fluoro-5-methylphenyl)piperidine-1-carboxamide;ethyl N-[4-[1-(5-chloro-1H-indazol-7-yl)-1-hydroxy-2-methylpropan-2-yl]piperidine-1-carbonyl]carbamate (PubChem CID 157405797) has the molecular formula C109H131Cl6F3N18O12 and a molecular weight of 2155.07 g/mol. Its IUPAC name is 9-(5-chloro-1H-indazol-7-yl)bicyclo[3.3.1]nonan-9-ol;4-[1-(5-chloro-1H-indazol-7-yl)-1-hydroxy-2-methylpropan-2-yl]-N-(2-chloro-5-methylphenyl)piperidine-1-carboxamide;4-[1-(5-chloro-1H-indazol-7-yl)-1-hydroxy-2-methylpropan-2-yl]-N-[4-(1,1-difluoroethoxy)phenyl]piperidine-1-carboxamide;4-[1-(5-chloro-1H-indazol-7-yl)-1-hydroxy-2-methylpropan-2-yl]-N-(2-fluoro-5-methylphenyl)piperidine-1-carboxamide;ethyl N-[4-[1-(5-chloro-1H-indazol-7-yl)-1-hydroxy-2-methylpropan-2-yl]piperidine-1-carbonyl]carbamate.

Molecular Properties

Compound Name9-(5-chloro-1H-indazol-7-yl)bicyclo[3.3.1]nonan-9-ol;4-[1-(5-chloro-1H-indazol-7-yl)-1-hydroxy-2-methylpropan-2-yl]-N-(2-chloro-5-methylphenyl)piperidine-1-carboxamide;4-[1-(5-chloro-1H-indazol-7-yl)-1-hydroxy-2-methylpropan-2-yl]-N-[4-(1,1-difluoroethoxy)phenyl]piperidine-1-carboxamide;4-[1-(5-chloro-1H-indazol-7-yl)-1-hydroxy-2-methylpropan-2-yl]-N-(2-fluoro-5-methylphenyl)piperidine-1-carboxamide;ethyl N-[4-[1-(5-chloro-1H-indazol-7-yl)-1-hydroxy-2-methylpropan-2-yl]piperidine-1-carbonyl]carbamate
PubChem CID157405797
Molecular FormulaC109H131Cl6F3N18O12
Molecular Weight2155.07 g/mol
Exact Mass2150.83
IUPAC Name9-(5-chloro-1H-indazol-7-yl)bicyclo[3.3.1]nonan-9-ol;4-[1-(5-chloro-1H-indazol-7-yl)-1-hydroxy-2-methylpropan-2-yl]-N-(2-chloro-5-methylphenyl)piperidine-1-carboxamide;4-[1-(5-chloro-1H-indazol-7-yl)-1-hydroxy-2-methylpropan-2-yl]-N-[4-(1,1-difluoroethoxy)phenyl]piperidine-1-carboxamide;4-[1-(5-chloro-1H-indazol-7-yl)-1-hydroxy-2-methylpropan-2-yl]-N-(2-fluoro-5-methylphenyl)piperidine-1-carboxamide;ethyl N-[4-[1-(5-chloro-1H-indazol-7-yl)-1-hydroxy-2-methylpropan-2-yl]piperidine-1-carbonyl]carbamate
SMILESCC(F)(F)Oc1ccc(NC(=O)N2CCC(C(C)(C)C(O)c3cc(Cl)cc4cn[nH]c34)CC2)cc1.CCOC(=O)NC(=O)N1CCC(C(C)(C)C(O)c2cc(Cl)cc3cn[nH]c23)CC1.Cc1ccc(Cl)c(NC(=O)N2CCC(C(C)(C)C(O)c3cc(Cl)cc4cn[nH]c34)CC2)c1.Cc1ccc(F)c(NC(=O)N2CCC(C(C)(C)C(O)c3cc(Cl)cc4cn[nH]c34)CC2)c1.OC1(c2cc(Cl)cc3cn[nH]c23)C2CCCC1CCC2
InChIInChI=1S/C25H29ClF2N4O3.C24H28Cl2N4O2.C24H28ClFN4O2.C20H27ClN4O4.C16H19ClN2O/c1-24(2,22(33)20-13-17(26)12-15-14-29-31-21(15)20)16-8-10-32(11-9-16)23(34)30-18-4-6-19(7-5-18)35-25(3,27)28;2*1-14-4-5-19(26)20(10-14)28-23(32)30-8-6-16(7-9-30)24(2,3)22(31)18-12-17(25)11-15-13-27-29-21(15)18;1-4-29-19(28)23-18(27)25-7-5-13(6-8-25)20(2,3)17(26)15-10-14(21)9-12-11-22-24-16(12)15;17-13-7-10-9-18-19-15(10)14(8-13)16(20)11-3-1-4-12(16)6-2-5-11/h4-7,12-14,16,22,33H,8-11H2,1-3H3,(H,29,31)(H,30,34);2*4-5,10-13,16,22,31H,6-9H2,1-3H3,(H,27,29)(H,28,32);9-11,13,17,26H,4-8H2,1-3H3,(H,22,24)(H,23,27,28);7-9,11-12,20H,1-6H2,(H,18,19)
InChIKeyBNRWDZJBHFSOJR-UHFFFAOYSA-N
XLogP25.92
TPSA409.44 Ų
H-Bond Donors14
H-Bond Acceptors17
Rotatable Bonds19
Heavy Atoms148
Complexity—

Lipinski Rule of Five

4 violations

RuleValue
MW ≤ 5002155.07
LogP ≤ 525.92
H-Bond Donors ≤ 514
H-Bond Acceptors ≤ 1017

Analyze 9-(5-chloro-1H-indazol-7-yl)bicyclo[3.3.1]nonan-9-ol;4-[1-(5-chloro-1H-indazol-7-yl)-1-hydroxy-2-methylpropan-2-yl]-N-(2-chloro-5-methylphenyl)piperidine-1-carboxamide;4-[1-(5-chloro-1H-indazol-7-yl)-1-hydroxy-2-methylpropan-2-yl]-N-[4-(1,1-difluoroethoxy)phenyl]piperidine-1-carboxamide;4-[1-(5-chloro-1H-indazol-7-yl)-1-hydroxy-2-methylpropan-2-yl]-N-(2-fluoro-5-methylphenyl)piperidine-1-carboxamide;ethyl N-[4-[1-(5-chloro-1H-indazol-7-yl)-1-hydroxy-2-methylpropan-2-yl]piperidine-1-carbonyl]carbamate with MolForge

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Launch Full Analysis

Related Compounds

4-[1-(5-chloro-1H-indazol-7-yl)-1-hydroxy-2-methylpropan-2-yl]-N-(3-chloro-4-methylphenyl)piperidine-1-carboxamide;4-[1-(5-chloro-1H-indazol-7-yl)-1-hydroxy-2-methylpropan-2-yl]-N-(3-chloro-5-methylphenyl)piperidine-1-carboxamide;4-[1-(5-chloro-1H-indazol-7-yl)-1-hydroxy-2-methylpropan-2-yl]-N-(3-ethyl-5-methoxyphenyl)piperidine-1-carboxamide;4-[1-(5-chloro-1H-indazol-7-yl)-1-hydroxy-2-methylpropan-2-yl]-N-(4-methylphenyl)piperidine-1-carboxamide;4-[1-(5-chloro-1H-indazol-7-yl)-1-hydroxy-2-methylpropan-2-yl]-N-[4-methyl-3-(trifluoromethyl)phenyl]piperidine-1-carboxamide
CID 158256492
(5-chloro-1H-indazol-7-yl)-(1-cyclobutylcyclobutyl)methanol;(5-chloro-1H-indazol-7-yl)-(1-cyclohexylcyclopropyl)methanol;4-[2-(5-chloro-1H-indazol-7-yl)-1,1-difluoro-2-hydroxyethyl]-N-cyclopropylpiperidine-1-carboxamide;4-[1-(5-chloro-1H-indazol-7-yl)-1-hydroxy-2-methylpropan-2-yl]-N-(2-chlorophenyl)piperidine-1-carboxamide;4-[1-(5-chloro-1H-indazol-7-yl)-1-hydroxy-2-methylpropan-2-yl]-N-(4-methoxyphenyl)piperidine-1-carboxamide
CID 159735923
4-[1-(5-chloro-1H-indazol-7-yl)-1-hydroxy-2-methylpropan-2-yl]-N-(2-cyanophenyl)piperidine-1-carboxamide;4-[1-(5-chloro-1H-indazol-7-yl)-1-hydroxy-2-methylpropan-2-yl]-N-(2-fluorophenyl)piperidine-1-carboxamide;4-[1-(5-chloro-1H-indazol-7-yl)-1-hydroxy-2-methylpropan-2-yl]-N-(2-methoxyphenyl)piperidine-1-carboxamide;4-[1-(5-chloro-1H-indazol-7-yl)-1-hydroxy-2-methylpropan-2-yl]-N-(3-methoxyphenyl)piperidine-1-carboxamide;4-[1-(5-chloro-1H-indazol-7-yl)-1-hydroxy-2-methylpropan-2-yl]-N-(3-methylphenyl)piperidine-1-carboxamide
CID 158260699

Frequently Asked Questions

What is the IUPAC name of 9-(5-chloro-1H-indazol-7-yl)bicyclo[3.3.1]nonan-9-ol;4-[1-(5-chloro-1H-indazol-7-yl)-1-hydroxy-2-methylpropan-2-yl]-N-(2-chloro-5-methylphenyl)piperidine-1-carboxamide;4-[1-(5-chloro-1H-indazol-7-yl)-1-hydroxy-2-methylpropan-2-yl]-N-[4-(1,1-difluoroethoxy)phenyl]piperidine-1-carboxamide;4-[1-(5-chloro-1H-indazol-7-yl)-1-hydroxy-2-methylpropan-2-yl]-N-(2-fluoro-5-methylphenyl)piperidine-1-carboxamide;ethyl N-[4-[1-(5-chloro-1H-indazol-7-yl)-1-hydroxy-2-methylpropan-2-yl]piperidine-1-carbonyl]carbamate?
The IUPAC name of 9-(5-chloro-1H-indazol-7-yl)bicyclo[3.3.1]nonan-9-ol;4-[1-(5-chloro-1H-indazol-7-yl)-1-hydroxy-2-methylpropan-2-yl]-N-(2-chloro-5-methylphenyl)piperidine-1-carboxamide;4-[1-(5-chloro-1H-indazol-7-yl)-1-hydroxy-2-methylpropan-2-yl]-N-[4-(1,1-difluoroethoxy)phenyl]piperidine-1-carboxamide;4-[1-(5-chloro-1H-indazol-7-yl)-1-hydroxy-2-methylpropan-2-yl]-N-(2-fluoro-5-methylphenyl)piperidine-1-carboxamide;ethyl N-[4-[1-(5-chloro-1H-indazol-7-yl)-1-hydroxy-2-methylpropan-2-yl]piperidine-1-carbonyl]carbamate (CID 157405797) is 9-(5-chloro-1H-indazol-7-yl)bicyclo[3.3.1]nonan-9-ol;4-[1-(5-chloro-1H-indazol-7-yl)-1-hydroxy-2-methylpropan-2-yl]-N-(2-chloro-5-methylphenyl)piperidine-1-carboxamide;4-[1-(5-chloro-1H-indazol-7-yl)-1-hydroxy-2-methylpropan-2-yl]-N-[4-(1,1-difluoroethoxy)phenyl]piperidine-1-carboxamide;4-[1-(5-chloro-1H-indazol-7-yl)-1-hydroxy-2-methylpropan-2-yl]-N-(2-fluoro-5-methylphenyl)piperidine-1-carboxamide;ethyl N-[4-[1-(5-chloro-1H-indazol-7-yl)-1-hydroxy-2-methylpropan-2-yl]piperidine-1-carbonyl]carbamate.
What is the SMILES notation for 9-(5-chloro-1H-indazol-7-yl)bicyclo[3.3.1]nonan-9-ol;4-[1-(5-chloro-1H-indazol-7-yl)-1-hydroxy-2-methylpropan-2-yl]-N-(2-chloro-5-methylphenyl)piperidine-1-carboxamide;4-[1-(5-chloro-1H-indazol-7-yl)-1-hydroxy-2-methylpropan-2-yl]-N-[4-(1,1-difluoroethoxy)phenyl]piperidine-1-carboxamide;4-[1-(5-chloro-1H-indazol-7-yl)-1-hydroxy-2-methylpropan-2-yl]-N-(2-fluoro-5-methylphenyl)piperidine-1-carboxamide;ethyl N-[4-[1-(5-chloro-1H-indazol-7-yl)-1-hydroxy-2-methylpropan-2-yl]piperidine-1-carbonyl]carbamate?
The canonical SMILES for 9-(5-chloro-1H-indazol-7-yl)bicyclo[3.3.1]nonan-9-ol;4-[1-(5-chloro-1H-indazol-7-yl)-1-hydroxy-2-methylpropan-2-yl]-N-(2-chloro-5-methylphenyl)piperidine-1-carboxamide;4-[1-(5-chloro-1H-indazol-7-yl)-1-hydroxy-2-methylpropan-2-yl]-N-[4-(1,1-difluoroethoxy)phenyl]piperidine-1-carboxamide;4-[1-(5-chloro-1H-indazol-7-yl)-1-hydroxy-2-methylpropan-2-yl]-N-(2-fluoro-5-methylphenyl)piperidine-1-carboxamide;ethyl N-[4-[1-(5-chloro-1H-indazol-7-yl)-1-hydroxy-2-methylpropan-2-yl]piperidine-1-carbonyl]carbamate is CC(F)(F)Oc1ccc(NC(=O)N2CCC(C(C)(C)C(O)c3cc(Cl)cc4cn[nH]c34)CC2)cc1.CCOC(=O)NC(=O)N1CCC(C(C)(C)C(O)c2cc(Cl)cc3cn[nH]c23)CC1.Cc1ccc(Cl)c(NC(=O)N2CCC(C(C)(C)C(O)c3cc(Cl)cc4cn[nH]c34)CC2)c1.Cc1ccc(F)c(NC(=O)N2CCC(C(C)(C)C(O)c3cc(Cl)cc4cn[nH]c34)CC2)c1.OC1(c2cc(Cl)cc3cn[nH]c23)C2CCCC1CCC2.
What is the InChIKey of 9-(5-chloro-1H-indazol-7-yl)bicyclo[3.3.1]nonan-9-ol;4-[1-(5-chloro-1H-indazol-7-yl)-1-hydroxy-2-methylpropan-2-yl]-N-(2-chloro-5-methylphenyl)piperidine-1-carboxamide;4-[1-(5-chloro-1H-indazol-7-yl)-1-hydroxy-2-methylpropan-2-yl]-N-[4-(1,1-difluoroethoxy)phenyl]piperidine-1-carboxamide;4-[1-(5-chloro-1H-indazol-7-yl)-1-hydroxy-2-methylpropan-2-yl]-N-(2-fluoro-5-methylphenyl)piperidine-1-carboxamide;ethyl N-[4-[1-(5-chloro-1H-indazol-7-yl)-1-hydroxy-2-methylpropan-2-yl]piperidine-1-carbonyl]carbamate?
The InChIKey is BNRWDZJBHFSOJR-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H29ClF2N4O3.C24H28Cl2N4O2.C24H28ClFN4O2.C20H27ClN4O4.C16H19ClN2O/c1-24(2,22(33)20-13-17(26)12-15-14-29-31-21(15)20)16-8-10-32(11-9-16)23(34)30-18-4-6-19(7-5-18)35-25(3,27)28;2*1-14-4-5-19(26)20(10-14)28-23(32)30-8-6-16(7-9-30)24(2,3)22(31)18-12-17(25)11-15-13-27-29-21(15)18;1-4-29-19(28)23-18(27)25-7-5-13(6-8-25)20(2,3)17(26)15-10-14(21)9-12-11-22-24-16(12)15;17-13-7-10-9-18-19-15(10)14(8-13)16(20)11-3-1-4-12(16)6-2-5-11/h4-7,12-14,16,22,33H,8-11H2,1-3H3,(H,29,31)(H,30,34);2*4-5,10-13,16,22,31H,6-9H2,1-3H3,(H,27,29)(H,28,32);9-11,13,17,26H,4-8H2,1-3H3,(H,22,24)(H,23,27,28);7-9,11-12,20H,1-6H2,(H,18,19).
What are the key properties of 9-(5-chloro-1H-indazol-7-yl)bicyclo[3.3.1]nonan-9-ol;4-[1-(5-chloro-1H-indazol-7-yl)-1-hydroxy-2-methylpropan-2-yl]-N-(2-chloro-5-methylphenyl)piperidine-1-carboxamide;4-[1-(5-chloro-1H-indazol-7-yl)-1-hydroxy-2-methylpropan-2-yl]-N-[4-(1,1-difluoroethoxy)phenyl]piperidine-1-carboxamide;4-[1-(5-chloro-1H-indazol-7-yl)-1-hydroxy-2-methylpropan-2-yl]-N-(2-fluoro-5-methylphenyl)piperidine-1-carboxamide;ethyl N-[4-[1-(5-chloro-1H-indazol-7-yl)-1-hydroxy-2-methylpropan-2-yl]piperidine-1-carbonyl]carbamate?
9-(5-chloro-1H-indazol-7-yl)bicyclo[3.3.1]nonan-9-ol;4-[1-(5-chloro-1H-indazol-7-yl)-1-hydroxy-2-methylpropan-2-yl]-N-(2-chloro-5-methylphenyl)piperidine-1-carboxamide;4-[1-(5-chloro-1H-indazol-7-yl)-1-hydroxy-2-methylpropan-2-yl]-N-[4-(1,1-difluoroethoxy)phenyl]piperidine-1-carboxamide;4-[1-(5-chloro-1H-indazol-7-yl)-1-hydroxy-2-methylpropan-2-yl]-N-(2-fluoro-5-methylphenyl)piperidine-1-carboxamide;ethyl N-[4-[1-(5-chloro-1H-indazol-7-yl)-1-hydroxy-2-methylpropan-2-yl]piperidine-1-carbonyl]carbamate has a molecular weight of 2155.07 g/mol, XLogP of 25.92, 19 rotatable bonds, 14 hydrogen bond donors, and 17 hydrogen bond acceptors.
Where does this data come from?
All data for 9-(5-chloro-1H-indazol-7-yl)bicyclo[3.3.1]nonan-9-ol;4-[1-(5-chloro-1H-indazol-7-yl)-1-hydroxy-2-methylpropan-2-yl]-N-(2-chloro-5-methylphenyl)piperidine-1-carboxamide;4-[1-(5-chloro-1H-indazol-7-yl)-1-hydroxy-2-methylpropan-2-yl]-N-[4-(1,1-difluoroethoxy)phenyl]piperidine-1-carboxamide;4-[1-(5-chloro-1H-indazol-7-yl)-1-hydroxy-2-methylpropan-2-yl]-N-(2-fluoro-5-methylphenyl)piperidine-1-carboxamide;ethyl N-[4-[1-(5-chloro-1H-indazol-7-yl)-1-hydroxy-2-methylpropan-2-yl]piperidine-1-carbonyl]carbamate is sourced from PubChem (CID 157405797), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).