[1-(benzenesulfonyl)cyclopropyl]-(5-chloro-1H-indazol-7-yl)methanol;(5-bromo-1H-indazol-7-yl)-(1-methylcyclohexyl)methanol;(5-chloro-4,6-difluoro-1H-indazol-7-yl)-[1-(1,1-difluoroethyl)cyclobutyl]methanol;(5-chloro-4,6-difluoro-1H-indazol-7-yl)-(1-methylcyclobutyl)methanol;1-(5-chloro-1H-indazol-7-yl)-2,2-diethylbutan-1-ol;1-(5-chloro-1H-indazol-7-yl)-2-ethylbutan-1-ol

C87H98BrCl5F6N12O8S — CID 157404211

IUPAC[1-(benzenesulfonyl)cyclopropyl]-(5-chloro-1H-indazol-7-yl)methanol;(5-bromo-1H-indazol-7-yl)-(1-methylcyclohexyl)methanol;(5-chloro-4,6-difluoro-1H-indazol-7-yl)-[1-(1,1-difluoroethyl)cyclobutyl]methanol;(5-chloro-4,6-difluoro-1H-indazol-7-yl)-(1-methylcyclobutyl)methanol;1-(5-chloro-1H-indazol-7-yl)-2,2-diethylbutan-1-ol;1-(5-chloro-1H-indazol-7-yl)-2-ethylbutan-1-ol
SMILESCC(F)(F)C1(C(O)c2c(F)c(Cl)c(F)c3cn[nH]c23)CCC1.CC1(C(O)c2c(F)c(Cl)c(F)c3cn[nH]c23)CCC1.CC1(C(O)c2cc(Br)cc3cn[nH]c23)CCCCC1.CCC(CC)(CC)C(O)c1cc(Cl)cc2cn[nH]c12.CCC(CC)C(O)c1cc(Cl)cc2cn[nH]c12.O=S(=O)(c1ccccc1)C1(C(O)c2cc(Cl)cc3cn[nH]c23)CC1
InChIInChI=1S/C17H15ClN2O3S.C15H19BrN2O.C15H21ClN2O.C14H13ClF4N2O.C13H13ClF2N2O.C13H17ClN2O/c18-12-8-11-10-19-20-15(11)14(9-12)16(21)17(6-7-17)24(22,23)13-4-2-1-3-5-13;1-15(5-3-2-4-6-15)14(19)12-8-11(16)7-10-9-17-18-13(10)12;1-4-15(5-2,6-3)14(19)12-8-11(16)7-10-9-17-18-13(10)12;1-13(18,19)14(3-2-4-14)12(22)7-10(17)8(15)9(16)6-5-20-21-11(6)7;1-13(3-2-4-13)12(19)7-10(16)8(14)9(15)6-5-17-18-11(6)7;1-3-8(4-2)13(17)11-6-10(14)5-9-7-15-16-12(9)11/h1-5,8-10,16,21H,6-7H2,(H,19,20);7-9,14,19H,2-6H2,1H3,(H,17,18);7-9,14,19H,4-6H2,1-3H3,(H,17,18);5,12,22H,2-4H2,1H3,(H,20,21);5,12,19H,2-4H2,1H3,(H,17,18);5-8,13,17H,3-4H2,1-2H3,(H,15,16)
InChIKeyBNNLEWWXSUVPOW-UHFFFAOYSA-N
MW1843.04 g/mol
LogP23.81
Rot. Bonds20

About [1-(benzenesulfonyl)cyclopropyl]-(5-chloro-1H-indazol-7-yl)methanol;(5-bromo-1H-indazol-7-yl)-(1-methylcyclohexyl)methanol;(5-chloro-4,6-difluoro-1H-indazol-7-yl)-[1-(1,1-difluoroethyl)cyclobutyl]methanol;(5-chloro-4,6-difluoro-1H-indazol-7-yl)-(1-methylcyclobutyl)methanol;1-(5-chloro-1H-indazol-7-yl)-2,2-diethylbutan-1-ol;1-(5-chloro-1H-indazol-7-yl)-2-ethylbutan-1-ol

[1-(benzenesulfonyl)cyclopropyl]-(5-chloro-1H-indazol-7-yl)methanol;(5-bromo-1H-indazol-7-yl)-(1-methylcyclohexyl)methanol;(5-chloro-4,6-difluoro-1H-indazol-7-yl)-[1-(1,1-difluoroethyl)cyclobutyl]methanol;(5-chloro-4,6-difluoro-1H-indazol-7-yl)-(1-methylcyclobutyl)methanol;1-(5-chloro-1H-indazol-7-yl)-2,2-diethylbutan-1-ol;1-(5-chloro-1H-indazol-7-yl)-2-ethylbutan-1-ol (PubChem CID 157404211) has the molecular formula C87H98BrCl5F6N12O8S and a molecular weight of 1843.04 g/mol. Its IUPAC name is [1-(benzenesulfonyl)cyclopropyl]-(5-chloro-1H-indazol-7-yl)methanol;(5-bromo-1H-indazol-7-yl)-(1-methylcyclohexyl)methanol;(5-chloro-4,6-difluoro-1H-indazol-7-yl)-[1-(1,1-difluoroethyl)cyclobutyl]methanol;(5-chloro-4,6-difluoro-1H-indazol-7-yl)-(1-methylcyclobutyl)methanol;1-(5-chloro-1H-indazol-7-yl)-2,2-diethylbutan-1-ol;1-(5-chloro-1H-indazol-7-yl)-2-ethylbutan-1-ol.

Molecular Properties

Compound Name[1-(benzenesulfonyl)cyclopropyl]-(5-chloro-1H-indazol-7-yl)methanol;(5-bromo-1H-indazol-7-yl)-(1-methylcyclohexyl)methanol;(5-chloro-4,6-difluoro-1H-indazol-7-yl)-[1-(1,1-difluoroethyl)cyclobutyl]methanol;(5-chloro-4,6-difluoro-1H-indazol-7-yl)-(1-methylcyclobutyl)methanol;1-(5-chloro-1H-indazol-7-yl)-2,2-diethylbutan-1-ol;1-(5-chloro-1H-indazol-7-yl)-2-ethylbutan-1-ol
PubChem CID157404211
Molecular FormulaC87H98BrCl5F6N12O8S
Molecular Weight1843.04 g/mol
Exact Mass1838.49
IUPAC Name[1-(benzenesulfonyl)cyclopropyl]-(5-chloro-1H-indazol-7-yl)methanol;(5-bromo-1H-indazol-7-yl)-(1-methylcyclohexyl)methanol;(5-chloro-4,6-difluoro-1H-indazol-7-yl)-[1-(1,1-difluoroethyl)cyclobutyl]methanol;(5-chloro-4,6-difluoro-1H-indazol-7-yl)-(1-methylcyclobutyl)methanol;1-(5-chloro-1H-indazol-7-yl)-2,2-diethylbutan-1-ol;1-(5-chloro-1H-indazol-7-yl)-2-ethylbutan-1-ol
SMILESCC(F)(F)C1(C(O)c2c(F)c(Cl)c(F)c3cn[nH]c23)CCC1.CC1(C(O)c2c(F)c(Cl)c(F)c3cn[nH]c23)CCC1.CC1(C(O)c2cc(Br)cc3cn[nH]c23)CCCCC1.CCC(CC)(CC)C(O)c1cc(Cl)cc2cn[nH]c12.CCC(CC)C(O)c1cc(Cl)cc2cn[nH]c12.O=S(=O)(c1ccccc1)C1(C(O)c2cc(Cl)cc3cn[nH]c23)CC1
InChIInChI=1S/C17H15ClN2O3S.C15H19BrN2O.C15H21ClN2O.C14H13ClF4N2O.C13H13ClF2N2O.C13H17ClN2O/c18-12-8-11-10-19-20-15(11)14(9-12)16(21)17(6-7-17)24(22,23)13-4-2-1-3-5-13;1-15(5-3-2-4-6-15)14(19)12-8-11(16)7-10-9-17-18-13(10)12;1-4-15(5-2,6-3)14(19)12-8-11(16)7-10-9-17-18-13(10)12;1-13(18,19)14(3-2-4-14)12(22)7-10(17)8(15)9(16)6-5-20-21-11(6)7;1-13(3-2-4-13)12(19)7-10(16)8(14)9(15)6-5-17-18-11(6)7;1-3-8(4-2)13(17)11-6-10(14)5-9-7-15-16-12(9)11/h1-5,8-10,16,21H,6-7H2,(H,19,20);7-9,14,19H,2-6H2,1H3,(H,17,18);7-9,14,19H,4-6H2,1-3H3,(H,17,18);5,12,22H,2-4H2,1H3,(H,20,21);5,12,19H,2-4H2,1H3,(H,17,18);5-8,13,17H,3-4H2,1-2H3,(H,15,16)
InChIKeyBNNLEWWXSUVPOW-UHFFFAOYSA-N
XLogP23.81
TPSA327.60 Ų
H-Bond Donors12
H-Bond Acceptors14
Rotatable Bonds20
Heavy Atoms120
Complexity—

Lipinski Rule of Five

4 violations

RuleValue
MW ≤ 5001843.04
LogP ≤ 523.81
H-Bond Donors ≤ 512
H-Bond Acceptors ≤ 1014

Computed Properties (RDKit)

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

Analyze [1-(benzenesulfonyl)cyclopropyl]-(5-chloro-1H-indazol-7-yl)methanol;(5-bromo-1H-indazol-7-yl)-(1-methylcyclohexyl)methanol;(5-chloro-4,6-difluoro-1H-indazol-7-yl)-[1-(1,1-difluoroethyl)cyclobutyl]methanol;(5-chloro-4,6-difluoro-1H-indazol-7-yl)-(1-methylcyclobutyl)methanol;1-(5-chloro-1H-indazol-7-yl)-2,2-diethylbutan-1-ol;1-(5-chloro-1H-indazol-7-yl)-2-ethylbutan-1-ol with MolForge

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Related Compounds

(5-chloro-1H-indazol-7-yl)-cyclobutylmethanol;1-(5-chloro-1H-indazol-7-yl)-2-cyclobutyl-2-methylpropan-1-ol;(5-chloro-1H-indazol-7-yl)-[1-(1,1-difluoroethyl)cyclobutyl]methanol;(5-chloro-1H-indazol-7-yl)-[1-(1,1-difluoroethyl)cyclopropyl]methanol;(5-chloro-1H-indazol-7-yl)-(1-methylcyclobutyl)methanol
CID 157654099
1-(5-chloro-1H-indazol-7-yl)-2-cyclohexyl-2,2-difluoroethanol;1-(5-chloro-1H-indazol-7-yl)-2-cyclohexyl-2-methylpropan-1-ol;(1S,5S)-1'-(5-chloro-1H-indazol-7-yl)-6,6-dimethylspiro[bicyclo[3.1.1]heptane-2,3'-cyclobutane]-1'-ol;1'-(5-chloro-1H-indazol-7-yl)-2,2-dimethylspiro[bicyclo[2.2.1]heptane-3,3'-cyclobutane]-1'-ol;(5-chloro-1H-indazol-7-yl)-[1-[(3-methylphenyl)methyl]cyclobutyl]methanol;3-(6-chloro-3H-inden-4-yl)-1,1-dioxothietan-3-ol
CID 159903261
(5-chloro-4,6-difluoro-1H-indazol-7-yl)-cyclobutylmethanol;1-(5-chloro-4,6-difluoro-1H-indazol-7-yl)-2-cyclobutyl-2-methylpropan-1-ol;(5-chloro-4,6-difluoro-1H-indazol-7-yl)-(1-cyclohexylcyclopropyl)methanol;1-(5-chloro-4,6-difluoro-1H-indazol-7-yl)-2,2-dimethylpropan-1-ol;1'-(5-chloro-4,6-difluoro-1H-indazol-7-yl)spiro[bicyclo[3.3.1]nonane-9,3'-cyclobutane]-1'-ol;1-(5-chloro-1H-indazol-7-yl)-3,3-difluoro-2,2-dimethylbutan-1-ol
CID 161891907
3-(benzenesulfonylmethyl)-1-(5-chloro-1H-indazol-7-yl)cyclobutan-1-ol;1-(5-chloro-1H-indazol-7-yl)-3-(cyclopropylsulfonylmethyl)cyclobutan-1-ol;4-(5-chloro-1H-indazol-7-yl)-2,2-dimethyl-1-(methyl-methylidene-oxo-lambda6-sulfanyl)piperidin-4-ol;4-(5-chloro-1H-indazol-7-yl)-1-methylidene-1-oxothian-4-ol;cyclohexyl-(5-fluoro-1H-indazol-7-yl)methanol
CID 158447615

Frequently Asked Questions

What is the IUPAC name of [1-(benzenesulfonyl)cyclopropyl]-(5-chloro-1H-indazol-7-yl)methanol;(5-bromo-1H-indazol-7-yl)-(1-methylcyclohexyl)methanol;(5-chloro-4,6-difluoro-1H-indazol-7-yl)-[1-(1,1-difluoroethyl)cyclobutyl]methanol;(5-chloro-4,6-difluoro-1H-indazol-7-yl)-(1-methylcyclobutyl)methanol;1-(5-chloro-1H-indazol-7-yl)-2,2-diethylbutan-1-ol;1-(5-chloro-1H-indazol-7-yl)-2-ethylbutan-1-ol?
The IUPAC name of [1-(benzenesulfonyl)cyclopropyl]-(5-chloro-1H-indazol-7-yl)methanol;(5-bromo-1H-indazol-7-yl)-(1-methylcyclohexyl)methanol;(5-chloro-4,6-difluoro-1H-indazol-7-yl)-[1-(1,1-difluoroethyl)cyclobutyl]methanol;(5-chloro-4,6-difluoro-1H-indazol-7-yl)-(1-methylcyclobutyl)methanol;1-(5-chloro-1H-indazol-7-yl)-2,2-diethylbutan-1-ol;1-(5-chloro-1H-indazol-7-yl)-2-ethylbutan-1-ol (CID 157404211) is [1-(benzenesulfonyl)cyclopropyl]-(5-chloro-1H-indazol-7-yl)methanol;(5-bromo-1H-indazol-7-yl)-(1-methylcyclohexyl)methanol;(5-chloro-4,6-difluoro-1H-indazol-7-yl)-[1-(1,1-difluoroethyl)cyclobutyl]methanol;(5-chloro-4,6-difluoro-1H-indazol-7-yl)-(1-methylcyclobutyl)methanol;1-(5-chloro-1H-indazol-7-yl)-2,2-diethylbutan-1-ol;1-(5-chloro-1H-indazol-7-yl)-2-ethylbutan-1-ol.
What is the SMILES notation for [1-(benzenesulfonyl)cyclopropyl]-(5-chloro-1H-indazol-7-yl)methanol;(5-bromo-1H-indazol-7-yl)-(1-methylcyclohexyl)methanol;(5-chloro-4,6-difluoro-1H-indazol-7-yl)-[1-(1,1-difluoroethyl)cyclobutyl]methanol;(5-chloro-4,6-difluoro-1H-indazol-7-yl)-(1-methylcyclobutyl)methanol;1-(5-chloro-1H-indazol-7-yl)-2,2-diethylbutan-1-ol;1-(5-chloro-1H-indazol-7-yl)-2-ethylbutan-1-ol?
The canonical SMILES for [1-(benzenesulfonyl)cyclopropyl]-(5-chloro-1H-indazol-7-yl)methanol;(5-bromo-1H-indazol-7-yl)-(1-methylcyclohexyl)methanol;(5-chloro-4,6-difluoro-1H-indazol-7-yl)-[1-(1,1-difluoroethyl)cyclobutyl]methanol;(5-chloro-4,6-difluoro-1H-indazol-7-yl)-(1-methylcyclobutyl)methanol;1-(5-chloro-1H-indazol-7-yl)-2,2-diethylbutan-1-ol;1-(5-chloro-1H-indazol-7-yl)-2-ethylbutan-1-ol is CC(F)(F)C1(C(O)c2c(F)c(Cl)c(F)c3cn[nH]c23)CCC1.CC1(C(O)c2c(F)c(Cl)c(F)c3cn[nH]c23)CCC1.CC1(C(O)c2cc(Br)cc3cn[nH]c23)CCCCC1.CCC(CC)(CC)C(O)c1cc(Cl)cc2cn[nH]c12.CCC(CC)C(O)c1cc(Cl)cc2cn[nH]c12.O=S(=O)(c1ccccc1)C1(C(O)c2cc(Cl)cc3cn[nH]c23)CC1.
What is the InChIKey of [1-(benzenesulfonyl)cyclopropyl]-(5-chloro-1H-indazol-7-yl)methanol;(5-bromo-1H-indazol-7-yl)-(1-methylcyclohexyl)methanol;(5-chloro-4,6-difluoro-1H-indazol-7-yl)-[1-(1,1-difluoroethyl)cyclobutyl]methanol;(5-chloro-4,6-difluoro-1H-indazol-7-yl)-(1-methylcyclobutyl)methanol;1-(5-chloro-1H-indazol-7-yl)-2,2-diethylbutan-1-ol;1-(5-chloro-1H-indazol-7-yl)-2-ethylbutan-1-ol?
The InChIKey is BNNLEWWXSUVPOW-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H15ClN2O3S.C15H19BrN2O.C15H21ClN2O.C14H13ClF4N2O.C13H13ClF2N2O.C13H17ClN2O/c18-12-8-11-10-19-20-15(11)14(9-12)16(21)17(6-7-17)24(22,23)13-4-2-1-3-5-13;1-15(5-3-2-4-6-15)14(19)12-8-11(16)7-10-9-17-18-13(10)12;1-4-15(5-2,6-3)14(19)12-8-11(16)7-10-9-17-18-13(10)12;1-13(18,19)14(3-2-4-14)12(22)7-10(17)8(15)9(16)6-5-20-21-11(6)7;1-13(3-2-4-13)12(19)7-10(16)8(14)9(15)6-5-17-18-11(6)7;1-3-8(4-2)13(17)11-6-10(14)5-9-7-15-16-12(9)11/h1-5,8-10,16,21H,6-7H2,(H,19,20);7-9,14,19H,2-6H2,1H3,(H,17,18);7-9,14,19H,4-6H2,1-3H3,(H,17,18);5,12,22H,2-4H2,1H3,(H,20,21);5,12,19H,2-4H2,1H3,(H,17,18);5-8,13,17H,3-4H2,1-2H3,(H,15,16).
What are the key properties of [1-(benzenesulfonyl)cyclopropyl]-(5-chloro-1H-indazol-7-yl)methanol;(5-bromo-1H-indazol-7-yl)-(1-methylcyclohexyl)methanol;(5-chloro-4,6-difluoro-1H-indazol-7-yl)-[1-(1,1-difluoroethyl)cyclobutyl]methanol;(5-chloro-4,6-difluoro-1H-indazol-7-yl)-(1-methylcyclobutyl)methanol;1-(5-chloro-1H-indazol-7-yl)-2,2-diethylbutan-1-ol;1-(5-chloro-1H-indazol-7-yl)-2-ethylbutan-1-ol?
[1-(benzenesulfonyl)cyclopropyl]-(5-chloro-1H-indazol-7-yl)methanol;(5-bromo-1H-indazol-7-yl)-(1-methylcyclohexyl)methanol;(5-chloro-4,6-difluoro-1H-indazol-7-yl)-[1-(1,1-difluoroethyl)cyclobutyl]methanol;(5-chloro-4,6-difluoro-1H-indazol-7-yl)-(1-methylcyclobutyl)methanol;1-(5-chloro-1H-indazol-7-yl)-2,2-diethylbutan-1-ol;1-(5-chloro-1H-indazol-7-yl)-2-ethylbutan-1-ol has a molecular weight of 1843.04 g/mol, XLogP of 23.81, 20 rotatable bonds, 12 hydrogen bond donors, and 14 hydrogen bond acceptors.
Where does this data come from?
All data for [1-(benzenesulfonyl)cyclopropyl]-(5-chloro-1H-indazol-7-yl)methanol;(5-bromo-1H-indazol-7-yl)-(1-methylcyclohexyl)methanol;(5-chloro-4,6-difluoro-1H-indazol-7-yl)-[1-(1,1-difluoroethyl)cyclobutyl]methanol;(5-chloro-4,6-difluoro-1H-indazol-7-yl)-(1-methylcyclobutyl)methanol;1-(5-chloro-1H-indazol-7-yl)-2,2-diethylbutan-1-ol;1-(5-chloro-1H-indazol-7-yl)-2-ethylbutan-1-ol is sourced from PubChem (CID 157404211), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).