1-bicyclo[2.2.1]heptanyl-(5-chloro-1H-indazol-7-yl)methanol;1-(5-chloro-6-fluoro-1H-indazol-7-yl)-2-cyclohexyl-2-methylpropan-1-ol;1-(5-chloro-1H-indazol-7-yl)-2-(dimethylamino)-2-methylpropan-1-ol;(5-chloro-1H-indazol-7-yl)-(3-methyl-3-bicyclo[3.1.0]hexanyl)methanol;1-(5-chloro-1H-indazol-7-yl)-2-methyl-2-pyrrolidin-1-ylpropan-1-ol

C75H94Cl5FN12O5 — CID 162089747

IUPAC1-bicyclo[2.2.1]heptanyl-(5-chloro-1H-indazol-7-yl)methanol;1-(5-chloro-6-fluoro-1H-indazol-7-yl)-2-cyclohexyl-2-methylpropan-1-ol;1-(5-chloro-1H-indazol-7-yl)-2-(dimethylamino)-2-methylpropan-1-ol;(5-chloro-1H-indazol-7-yl)-(3-methyl-3-bicyclo[3.1.0]hexanyl)methanol;1-(5-chloro-1H-indazol-7-yl)-2-methyl-2-pyrrolidin-1-ylpropan-1-ol
SMILESCC(C)(C(O)c1cc(Cl)cc2cn[nH]c12)N1CCCC1.CC(C)(C1CCCCC1)C(O)c1c(F)c(Cl)cc2cn[nH]c12.CC1(C(O)c2cc(Cl)cc3cn[nH]c23)CC2CC2C1.CN(C)C(C)(C)C(O)c1cc(Cl)cc2cn[nH]c12.OC(c1cc(Cl)cc2cn[nH]c12)C12CCC(CC1)C2
InChIInChI=1S/C17H22ClFN2O.C15H20ClN3O.2C15H17ClN2O.C13H18ClN3O/c1-17(2,11-6-4-3-5-7-11)16(22)13-14(19)12(18)8-10-9-20-21-15(10)13;1-15(2,19-5-3-4-6-19)14(20)12-8-11(16)7-10-9-17-18-13(10)12;1-15(5-8-2-9(8)6-15)14(19)12-4-11(16)3-10-7-17-18-13(10)12;16-11-5-10-8-17-18-13(10)12(6-11)14(19)15-3-1-9(7-15)2-4-15;1-13(2,17(3)4)12(18)10-6-9(14)5-8-7-15-16-11(8)10/h8-9,11,16,22H,3-7H2,1-2H3,(H,20,21);7-9,14,20H,3-6H2,1-2H3,(H,17,18);3-4,7-9,14,19H,2,5-6H2,1H3,(H,17,18);5-6,8-9,14,19H,1-4,7H2,(H,17,18);5-7,12,18H,1-4H3,(H,15,16)
InChIKeyZDLDHHCCXFJVOJ-UHFFFAOYSA-N
MW1439.92 g/mol
LogP18.23
Rot. Bonds13

About 1-bicyclo[2.2.1]heptanyl-(5-chloro-1H-indazol-7-yl)methanol;1-(5-chloro-6-fluoro-1H-indazol-7-yl)-2-cyclohexyl-2-methylpropan-1-ol;1-(5-chloro-1H-indazol-7-yl)-2-(dimethylamino)-2-methylpropan-1-ol;(5-chloro-1H-indazol-7-yl)-(3-methyl-3-bicyclo[3.1.0]hexanyl)methanol;1-(5-chloro-1H-indazol-7-yl)-2-methyl-2-pyrrolidin-1-ylpropan-1-ol

1-bicyclo[2.2.1]heptanyl-(5-chloro-1H-indazol-7-yl)methanol;1-(5-chloro-6-fluoro-1H-indazol-7-yl)-2-cyclohexyl-2-methylpropan-1-ol;1-(5-chloro-1H-indazol-7-yl)-2-(dimethylamino)-2-methylpropan-1-ol;(5-chloro-1H-indazol-7-yl)-(3-methyl-3-bicyclo[3.1.0]hexanyl)methanol;1-(5-chloro-1H-indazol-7-yl)-2-methyl-2-pyrrolidin-1-ylpropan-1-ol (PubChem CID 162089747) has the molecular formula C75H94Cl5FN12O5 and a molecular weight of 1439.92 g/mol. Its IUPAC name is 1-bicyclo[2.2.1]heptanyl-(5-chloro-1H-indazol-7-yl)methanol;1-(5-chloro-6-fluoro-1H-indazol-7-yl)-2-cyclohexyl-2-methylpropan-1-ol;1-(5-chloro-1H-indazol-7-yl)-2-(dimethylamino)-2-methylpropan-1-ol;(5-chloro-1H-indazol-7-yl)-(3-methyl-3-bicyclo[3.1.0]hexanyl)methanol;1-(5-chloro-1H-indazol-7-yl)-2-methyl-2-pyrrolidin-1-ylpropan-1-ol.

Molecular Properties

Compound Name1-bicyclo[2.2.1]heptanyl-(5-chloro-1H-indazol-7-yl)methanol;1-(5-chloro-6-fluoro-1H-indazol-7-yl)-2-cyclohexyl-2-methylpropan-1-ol;1-(5-chloro-1H-indazol-7-yl)-2-(dimethylamino)-2-methylpropan-1-ol;(5-chloro-1H-indazol-7-yl)-(3-methyl-3-bicyclo[3.1.0]hexanyl)methanol;1-(5-chloro-1H-indazol-7-yl)-2-methyl-2-pyrrolidin-1-ylpropan-1-ol
PubChem CID162089747
Molecular FormulaC75H94Cl5FN12O5
Molecular Weight1439.92 g/mol
Exact Mass1436.59
IUPAC Name1-bicyclo[2.2.1]heptanyl-(5-chloro-1H-indazol-7-yl)methanol;1-(5-chloro-6-fluoro-1H-indazol-7-yl)-2-cyclohexyl-2-methylpropan-1-ol;1-(5-chloro-1H-indazol-7-yl)-2-(dimethylamino)-2-methylpropan-1-ol;(5-chloro-1H-indazol-7-yl)-(3-methyl-3-bicyclo[3.1.0]hexanyl)methanol;1-(5-chloro-1H-indazol-7-yl)-2-methyl-2-pyrrolidin-1-ylpropan-1-ol
SMILESCC(C)(C(O)c1cc(Cl)cc2cn[nH]c12)N1CCCC1.CC(C)(C1CCCCC1)C(O)c1c(F)c(Cl)cc2cn[nH]c12.CC1(C(O)c2cc(Cl)cc3cn[nH]c23)CC2CC2C1.CN(C)C(C)(C)C(O)c1cc(Cl)cc2cn[nH]c12.OC(c1cc(Cl)cc2cn[nH]c12)C12CCC(CC1)C2
InChIInChI=1S/C17H22ClFN2O.C15H20ClN3O.2C15H17ClN2O.C13H18ClN3O/c1-17(2,11-6-4-3-5-7-11)16(22)13-14(19)12(18)8-10-9-20-21-15(10)13;1-15(2,19-5-3-4-6-19)14(20)12-8-11(16)7-10-9-17-18-13(10)12;1-15(5-8-2-9(8)6-15)14(19)12-4-11(16)3-10-7-17-18-13(10)12;16-11-5-10-8-17-18-13(10)12(6-11)14(19)15-3-1-9(7-15)2-4-15;1-13(2,17(3)4)12(18)10-6-9(14)5-8-7-15-16-11(8)10/h8-9,11,16,22H,3-7H2,1-2H3,(H,20,21);7-9,14,20H,3-6H2,1-2H3,(H,17,18);3-4,7-9,14,19H,2,5-6H2,1H3,(H,17,18);5-6,8-9,14,19H,1-4,7H2,(H,17,18);5-7,12,18H,1-4H3,(H,15,16)
InChIKeyZDLDHHCCXFJVOJ-UHFFFAOYSA-N
XLogP18.23
TPSA251.03 Ų
H-Bond Donors10
H-Bond Acceptors12
Rotatable Bonds13
Heavy Atoms98
Complexity—

Lipinski Rule of Five

4 violations

RuleValue
MW ≤ 5001439.92
LogP ≤ 518.23
H-Bond Donors ≤ 510
H-Bond Acceptors ≤ 1012

Analyze 1-bicyclo[2.2.1]heptanyl-(5-chloro-1H-indazol-7-yl)methanol;1-(5-chloro-6-fluoro-1H-indazol-7-yl)-2-cyclohexyl-2-methylpropan-1-ol;1-(5-chloro-1H-indazol-7-yl)-2-(dimethylamino)-2-methylpropan-1-ol;(5-chloro-1H-indazol-7-yl)-(3-methyl-3-bicyclo[3.1.0]hexanyl)methanol;1-(5-chloro-1H-indazol-7-yl)-2-methyl-2-pyrrolidin-1-ylpropan-1-ol with MolForge

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Frequently Asked Questions

What is the IUPAC name of 1-bicyclo[2.2.1]heptanyl-(5-chloro-1H-indazol-7-yl)methanol;1-(5-chloro-6-fluoro-1H-indazol-7-yl)-2-cyclohexyl-2-methylpropan-1-ol;1-(5-chloro-1H-indazol-7-yl)-2-(dimethylamino)-2-methylpropan-1-ol;(5-chloro-1H-indazol-7-yl)-(3-methyl-3-bicyclo[3.1.0]hexanyl)methanol;1-(5-chloro-1H-indazol-7-yl)-2-methyl-2-pyrrolidin-1-ylpropan-1-ol?
The IUPAC name of 1-bicyclo[2.2.1]heptanyl-(5-chloro-1H-indazol-7-yl)methanol;1-(5-chloro-6-fluoro-1H-indazol-7-yl)-2-cyclohexyl-2-methylpropan-1-ol;1-(5-chloro-1H-indazol-7-yl)-2-(dimethylamino)-2-methylpropan-1-ol;(5-chloro-1H-indazol-7-yl)-(3-methyl-3-bicyclo[3.1.0]hexanyl)methanol;1-(5-chloro-1H-indazol-7-yl)-2-methyl-2-pyrrolidin-1-ylpropan-1-ol (CID 162089747) is 1-bicyclo[2.2.1]heptanyl-(5-chloro-1H-indazol-7-yl)methanol;1-(5-chloro-6-fluoro-1H-indazol-7-yl)-2-cyclohexyl-2-methylpropan-1-ol;1-(5-chloro-1H-indazol-7-yl)-2-(dimethylamino)-2-methylpropan-1-ol;(5-chloro-1H-indazol-7-yl)-(3-methyl-3-bicyclo[3.1.0]hexanyl)methanol;1-(5-chloro-1H-indazol-7-yl)-2-methyl-2-pyrrolidin-1-ylpropan-1-ol.
What is the SMILES notation for 1-bicyclo[2.2.1]heptanyl-(5-chloro-1H-indazol-7-yl)methanol;1-(5-chloro-6-fluoro-1H-indazol-7-yl)-2-cyclohexyl-2-methylpropan-1-ol;1-(5-chloro-1H-indazol-7-yl)-2-(dimethylamino)-2-methylpropan-1-ol;(5-chloro-1H-indazol-7-yl)-(3-methyl-3-bicyclo[3.1.0]hexanyl)methanol;1-(5-chloro-1H-indazol-7-yl)-2-methyl-2-pyrrolidin-1-ylpropan-1-ol?
The canonical SMILES for 1-bicyclo[2.2.1]heptanyl-(5-chloro-1H-indazol-7-yl)methanol;1-(5-chloro-6-fluoro-1H-indazol-7-yl)-2-cyclohexyl-2-methylpropan-1-ol;1-(5-chloro-1H-indazol-7-yl)-2-(dimethylamino)-2-methylpropan-1-ol;(5-chloro-1H-indazol-7-yl)-(3-methyl-3-bicyclo[3.1.0]hexanyl)methanol;1-(5-chloro-1H-indazol-7-yl)-2-methyl-2-pyrrolidin-1-ylpropan-1-ol is CC(C)(C(O)c1cc(Cl)cc2cn[nH]c12)N1CCCC1.CC(C)(C1CCCCC1)C(O)c1c(F)c(Cl)cc2cn[nH]c12.CC1(C(O)c2cc(Cl)cc3cn[nH]c23)CC2CC2C1.CN(C)C(C)(C)C(O)c1cc(Cl)cc2cn[nH]c12.OC(c1cc(Cl)cc2cn[nH]c12)C12CCC(CC1)C2.
What is the InChIKey of 1-bicyclo[2.2.1]heptanyl-(5-chloro-1H-indazol-7-yl)methanol;1-(5-chloro-6-fluoro-1H-indazol-7-yl)-2-cyclohexyl-2-methylpropan-1-ol;1-(5-chloro-1H-indazol-7-yl)-2-(dimethylamino)-2-methylpropan-1-ol;(5-chloro-1H-indazol-7-yl)-(3-methyl-3-bicyclo[3.1.0]hexanyl)methanol;1-(5-chloro-1H-indazol-7-yl)-2-methyl-2-pyrrolidin-1-ylpropan-1-ol?
The InChIKey is ZDLDHHCCXFJVOJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H22ClFN2O.C15H20ClN3O.2C15H17ClN2O.C13H18ClN3O/c1-17(2,11-6-4-3-5-7-11)16(22)13-14(19)12(18)8-10-9-20-21-15(10)13;1-15(2,19-5-3-4-6-19)14(20)12-8-11(16)7-10-9-17-18-13(10)12;1-15(5-8-2-9(8)6-15)14(19)12-4-11(16)3-10-7-17-18-13(10)12;16-11-5-10-8-17-18-13(10)12(6-11)14(19)15-3-1-9(7-15)2-4-15;1-13(2,17(3)4)12(18)10-6-9(14)5-8-7-15-16-11(8)10/h8-9,11,16,22H,3-7H2,1-2H3,(H,20,21);7-9,14,20H,3-6H2,1-2H3,(H,17,18);3-4,7-9,14,19H,2,5-6H2,1H3,(H,17,18);5-6,8-9,14,19H,1-4,7H2,(H,17,18);5-7,12,18H,1-4H3,(H,15,16).
What are the key properties of 1-bicyclo[2.2.1]heptanyl-(5-chloro-1H-indazol-7-yl)methanol;1-(5-chloro-6-fluoro-1H-indazol-7-yl)-2-cyclohexyl-2-methylpropan-1-ol;1-(5-chloro-1H-indazol-7-yl)-2-(dimethylamino)-2-methylpropan-1-ol;(5-chloro-1H-indazol-7-yl)-(3-methyl-3-bicyclo[3.1.0]hexanyl)methanol;1-(5-chloro-1H-indazol-7-yl)-2-methyl-2-pyrrolidin-1-ylpropan-1-ol?
1-bicyclo[2.2.1]heptanyl-(5-chloro-1H-indazol-7-yl)methanol;1-(5-chloro-6-fluoro-1H-indazol-7-yl)-2-cyclohexyl-2-methylpropan-1-ol;1-(5-chloro-1H-indazol-7-yl)-2-(dimethylamino)-2-methylpropan-1-ol;(5-chloro-1H-indazol-7-yl)-(3-methyl-3-bicyclo[3.1.0]hexanyl)methanol;1-(5-chloro-1H-indazol-7-yl)-2-methyl-2-pyrrolidin-1-ylpropan-1-ol has a molecular weight of 1439.92 g/mol, XLogP of 18.23, 13 rotatable bonds, 10 hydrogen bond donors, and 12 hydrogen bond acceptors.
Where does this data come from?
All data for 1-bicyclo[2.2.1]heptanyl-(5-chloro-1H-indazol-7-yl)methanol;1-(5-chloro-6-fluoro-1H-indazol-7-yl)-2-cyclohexyl-2-methylpropan-1-ol;1-(5-chloro-1H-indazol-7-yl)-2-(dimethylamino)-2-methylpropan-1-ol;(5-chloro-1H-indazol-7-yl)-(3-methyl-3-bicyclo[3.1.0]hexanyl)methanol;1-(5-chloro-1H-indazol-7-yl)-2-methyl-2-pyrrolidin-1-ylpropan-1-ol is sourced from PubChem (CID 162089747), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).