6-chloro-4-(2-ethyl-4-pyridinyl)-1H-indazole;8-(6-chloro-1H-indazol-4-yl)-2,8-diazaspiro[4.5]decan-3-one;1-(6-chloro-1H-indazol-4-yl)-2-phenylethanol;N-[[1-(6-chloro-1H-indazol-4-yl)piperidin-3-yl]methyl]acetamide;N-[[1-(6-chloro-1H-indazol-4-yl)piperidin-4-yl]methyl]-N-methylacetamide;N-[1-(6-chloro-1H-indazol-4-yl)pyrrolidin-3-yl]-N-methylacetamide

C89H99Cl6N21O5 — CID 158678354

IUPAC6-chloro-4-(2-ethyl-4-pyridinyl)-1H-indazole;8-(6-chloro-1H-indazol-4-yl)-2,8-diazaspiro[4.5]decan-3-one;1-(6-chloro-1H-indazol-4-yl)-2-phenylethanol;N-[[1-(6-chloro-1H-indazol-4-yl)piperidin-3-yl]methyl]acetamide;N-[[1-(6-chloro-1H-indazol-4-yl)piperidin-4-yl]methyl]-N-methylacetamide;N-[1-(6-chloro-1H-indazol-4-yl)pyrrolidin-3-yl]-N-methylacetamide
SMILESCC(=O)N(C)C1CCN(c2cc(Cl)cc3[nH]ncc23)C1.CC(=O)N(C)CC1CCN(c2cc(Cl)cc3[nH]ncc23)CC1.CC(=O)NCC1CCCN(c2cc(Cl)cc3[nH]ncc23)C1.CCc1cc(-c2cc(Cl)cc3[nH]ncc23)ccn1.O=C1CC2(CCN(c3cc(Cl)cc4[nH]ncc34)CC2)CN1.OC(Cc1ccccc1)c1cc(Cl)cc2[nH]ncc12
InChIInChI=1S/C16H21ClN4O.C15H17ClN4O.C15H19ClN4O.C15H13ClN2O.C14H17ClN4O.C14H12ClN3/c1-11(22)20(2)10-12-3-5-21(6-4-12)16-8-13(17)7-15-14(16)9-18-19-15;16-10-5-12-11(8-18-19-12)13(6-10)20-3-1-15(2-4-20)7-14(21)17-9-15;1-10(21)17-7-11-3-2-4-20(9-11)15-6-12(16)5-14-13(15)8-18-19-14;16-11-7-12(13-9-17-18-14(13)8-11)15(19)6-10-4-2-1-3-5-10;1-9(20)18(2)11-3-4-19(8-11)14-6-10(15)5-13-12(14)7-16-17-13;1-2-11-5-9(3-4-16-11)12-6-10(15)7-14-13(12)8-17-18-14/h7-9,12H,3-6,10H2,1-2H3,(H,18,19);5-6,8H,1-4,7,9H2,(H,17,21)(H,18,19);5-6,8,11H,2-4,7,9H2,1H3,(H,17,21)(H,18,19);1-5,7-9,15,19H,6H2,(H,17,18);5-7,11H,3-4,8H2,1-2H3,(H,16,17);3-8H,2H2,1H3,(H,17,18)
InChIKeyIEUPHUDOEWMALQ-UHFFFAOYSA-N
MW1755.63 g/mol
LogP17.41
Rot. Bonds14

About 6-chloro-4-(2-ethyl-4-pyridinyl)-1H-indazole;8-(6-chloro-1H-indazol-4-yl)-2,8-diazaspiro[4.5]decan-3-one;1-(6-chloro-1H-indazol-4-yl)-2-phenylethanol;N-[[1-(6-chloro-1H-indazol-4-yl)piperidin-3-yl]methyl]acetamide;N-[[1-(6-chloro-1H-indazol-4-yl)piperidin-4-yl]methyl]-N-methylacetamide;N-[1-(6-chloro-1H-indazol-4-yl)pyrrolidin-3-yl]-N-methylacetamide

6-chloro-4-(2-ethyl-4-pyridinyl)-1H-indazole;8-(6-chloro-1H-indazol-4-yl)-2,8-diazaspiro[4.5]decan-3-one;1-(6-chloro-1H-indazol-4-yl)-2-phenylethanol;N-[[1-(6-chloro-1H-indazol-4-yl)piperidin-3-yl]methyl]acetamide;N-[[1-(6-chloro-1H-indazol-4-yl)piperidin-4-yl]methyl]-N-methylacetamide;N-[1-(6-chloro-1H-indazol-4-yl)pyrrolidin-3-yl]-N-methylacetamide (PubChem CID 158678354) has the molecular formula C89H99Cl6N21O5 and a molecular weight of 1755.63 g/mol. Its IUPAC name is 6-chloro-4-(2-ethyl-4-pyridinyl)-1H-indazole;8-(6-chloro-1H-indazol-4-yl)-2,8-diazaspiro[4.5]decan-3-one;1-(6-chloro-1H-indazol-4-yl)-2-phenylethanol;N-[[1-(6-chloro-1H-indazol-4-yl)piperidin-3-yl]methyl]acetamide;N-[[1-(6-chloro-1H-indazol-4-yl)piperidin-4-yl]methyl]-N-methylacetamide;N-[1-(6-chloro-1H-indazol-4-yl)pyrrolidin-3-yl]-N-methylacetamide.

Molecular Properties

Compound Name6-chloro-4-(2-ethyl-4-pyridinyl)-1H-indazole;8-(6-chloro-1H-indazol-4-yl)-2,8-diazaspiro[4.5]decan-3-one;1-(6-chloro-1H-indazol-4-yl)-2-phenylethanol;N-[[1-(6-chloro-1H-indazol-4-yl)piperidin-3-yl]methyl]acetamide;N-[[1-(6-chloro-1H-indazol-4-yl)piperidin-4-yl]methyl]-N-methylacetamide;N-[1-(6-chloro-1H-indazol-4-yl)pyrrolidin-3-yl]-N-methylacetamide
PubChem CID158678354
Molecular FormulaC89H99Cl6N21O5
Molecular Weight1755.63 g/mol
Exact Mass1751.63
IUPAC Name6-chloro-4-(2-ethyl-4-pyridinyl)-1H-indazole;8-(6-chloro-1H-indazol-4-yl)-2,8-diazaspiro[4.5]decan-3-one;1-(6-chloro-1H-indazol-4-yl)-2-phenylethanol;N-[[1-(6-chloro-1H-indazol-4-yl)piperidin-3-yl]methyl]acetamide;N-[[1-(6-chloro-1H-indazol-4-yl)piperidin-4-yl]methyl]-N-methylacetamide;N-[1-(6-chloro-1H-indazol-4-yl)pyrrolidin-3-yl]-N-methylacetamide
SMILESCC(=O)N(C)C1CCN(c2cc(Cl)cc3[nH]ncc23)C1.CC(=O)N(C)CC1CCN(c2cc(Cl)cc3[nH]ncc23)CC1.CC(=O)NCC1CCCN(c2cc(Cl)cc3[nH]ncc23)C1.CCc1cc(-c2cc(Cl)cc3[nH]ncc23)ccn1.O=C1CC2(CCN(c3cc(Cl)cc4[nH]ncc34)CC2)CN1.OC(Cc1ccccc1)c1cc(Cl)cc2[nH]ncc12
InChIInChI=1S/C16H21ClN4O.C15H17ClN4O.C15H19ClN4O.C15H13ClN2O.C14H17ClN4O.C14H12ClN3/c1-11(22)20(2)10-12-3-5-21(6-4-12)16-8-13(17)7-15-14(16)9-18-19-15;16-10-5-12-11(8-18-19-12)13(6-10)20-3-1-15(2-4-20)7-14(21)17-9-15;1-10(21)17-7-11-3-2-4-20(9-11)15-6-12(16)5-14-13(15)8-18-19-14;16-11-7-12(13-9-17-18-14(13)8-11)15(19)6-10-4-2-1-3-5-10;1-9(20)18(2)11-3-4-19(8-11)14-6-10(15)5-13-12(14)7-16-17-13;1-2-11-5-9(3-4-16-11)12-6-10(15)7-14-13(12)8-17-18-14/h7-9,12H,3-6,10H2,1-2H3,(H,18,19);5-6,8H,1-4,7,9H2,(H,17,21)(H,18,19);5-6,8,11H,2-4,7,9H2,1H3,(H,17,21)(H,18,19);1-5,7-9,15,19H,6H2,(H,17,18);5-7,11H,3-4,8H2,1-2H3,(H,16,17);3-8H,2H2,1H3,(H,17,18)
InChIKeyIEUPHUDOEWMALQ-UHFFFAOYSA-N
XLogP17.41
TPSA316.98 Ų
H-Bond Donors9
H-Bond Acceptors16
Rotatable Bonds14
Heavy Atoms121
Complexity

Lipinski Rule of Five

4 violations

RuleValue
MW ≤ 5001755.63
LogP ≤ 517.41
H-Bond Donors ≤ 59
H-Bond Acceptors ≤ 1016

Analyze 6-chloro-4-(2-ethyl-4-pyridinyl)-1H-indazole;8-(6-chloro-1H-indazol-4-yl)-2,8-diazaspiro[4.5]decan-3-one;1-(6-chloro-1H-indazol-4-yl)-2-phenylethanol;N-[[1-(6-chloro-1H-indazol-4-yl)piperidin-3-yl]methyl]acetamide;N-[[1-(6-chloro-1H-indazol-4-yl)piperidin-4-yl]methyl]-N-methylacetamide;N-[1-(6-chloro-1H-indazol-4-yl)pyrrolidin-3-yl]-N-methylacetamide with MolForge

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Frequently Asked Questions

What is the IUPAC name of 6-chloro-4-(2-ethyl-4-pyridinyl)-1H-indazole;8-(6-chloro-1H-indazol-4-yl)-2,8-diazaspiro[4.5]decan-3-one;1-(6-chloro-1H-indazol-4-yl)-2-phenylethanol;N-[[1-(6-chloro-1H-indazol-4-yl)piperidin-3-yl]methyl]acetamide;N-[[1-(6-chloro-1H-indazol-4-yl)piperidin-4-yl]methyl]-N-methylacetamide;N-[1-(6-chloro-1H-indazol-4-yl)pyrrolidin-3-yl]-N-methylacetamide?
The IUPAC name of 6-chloro-4-(2-ethyl-4-pyridinyl)-1H-indazole;8-(6-chloro-1H-indazol-4-yl)-2,8-diazaspiro[4.5]decan-3-one;1-(6-chloro-1H-indazol-4-yl)-2-phenylethanol;N-[[1-(6-chloro-1H-indazol-4-yl)piperidin-3-yl]methyl]acetamide;N-[[1-(6-chloro-1H-indazol-4-yl)piperidin-4-yl]methyl]-N-methylacetamide;N-[1-(6-chloro-1H-indazol-4-yl)pyrrolidin-3-yl]-N-methylacetamide (CID 158678354) is 6-chloro-4-(2-ethyl-4-pyridinyl)-1H-indazole;8-(6-chloro-1H-indazol-4-yl)-2,8-diazaspiro[4.5]decan-3-one;1-(6-chloro-1H-indazol-4-yl)-2-phenylethanol;N-[[1-(6-chloro-1H-indazol-4-yl)piperidin-3-yl]methyl]acetamide;N-[[1-(6-chloro-1H-indazol-4-yl)piperidin-4-yl]methyl]-N-methylacetamide;N-[1-(6-chloro-1H-indazol-4-yl)pyrrolidin-3-yl]-N-methylacetamide.
What is the SMILES notation for 6-chloro-4-(2-ethyl-4-pyridinyl)-1H-indazole;8-(6-chloro-1H-indazol-4-yl)-2,8-diazaspiro[4.5]decan-3-one;1-(6-chloro-1H-indazol-4-yl)-2-phenylethanol;N-[[1-(6-chloro-1H-indazol-4-yl)piperidin-3-yl]methyl]acetamide;N-[[1-(6-chloro-1H-indazol-4-yl)piperidin-4-yl]methyl]-N-methylacetamide;N-[1-(6-chloro-1H-indazol-4-yl)pyrrolidin-3-yl]-N-methylacetamide?
The canonical SMILES for 6-chloro-4-(2-ethyl-4-pyridinyl)-1H-indazole;8-(6-chloro-1H-indazol-4-yl)-2,8-diazaspiro[4.5]decan-3-one;1-(6-chloro-1H-indazol-4-yl)-2-phenylethanol;N-[[1-(6-chloro-1H-indazol-4-yl)piperidin-3-yl]methyl]acetamide;N-[[1-(6-chloro-1H-indazol-4-yl)piperidin-4-yl]methyl]-N-methylacetamide;N-[1-(6-chloro-1H-indazol-4-yl)pyrrolidin-3-yl]-N-methylacetamide is CC(=O)N(C)C1CCN(c2cc(Cl)cc3[nH]ncc23)C1.CC(=O)N(C)CC1CCN(c2cc(Cl)cc3[nH]ncc23)CC1.CC(=O)NCC1CCCN(c2cc(Cl)cc3[nH]ncc23)C1.CCc1cc(-c2cc(Cl)cc3[nH]ncc23)ccn1.O=C1CC2(CCN(c3cc(Cl)cc4[nH]ncc34)CC2)CN1.OC(Cc1ccccc1)c1cc(Cl)cc2[nH]ncc12.
What is the InChIKey of 6-chloro-4-(2-ethyl-4-pyridinyl)-1H-indazole;8-(6-chloro-1H-indazol-4-yl)-2,8-diazaspiro[4.5]decan-3-one;1-(6-chloro-1H-indazol-4-yl)-2-phenylethanol;N-[[1-(6-chloro-1H-indazol-4-yl)piperidin-3-yl]methyl]acetamide;N-[[1-(6-chloro-1H-indazol-4-yl)piperidin-4-yl]methyl]-N-methylacetamide;N-[1-(6-chloro-1H-indazol-4-yl)pyrrolidin-3-yl]-N-methylacetamide?
The InChIKey is IEUPHUDOEWMALQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H21ClN4O.C15H17ClN4O.C15H19ClN4O.C15H13ClN2O.C14H17ClN4O.C14H12ClN3/c1-11(22)20(2)10-12-3-5-21(6-4-12)16-8-13(17)7-15-14(16)9-18-19-15;16-10-5-12-11(8-18-19-12)13(6-10)20-3-1-15(2-4-20)7-14(21)17-9-15;1-10(21)17-7-11-3-2-4-20(9-11)15-6-12(16)5-14-13(15)8-18-19-14;16-11-7-12(13-9-17-18-14(13)8-11)15(19)6-10-4-2-1-3-5-10;1-9(20)18(2)11-3-4-19(8-11)14-6-10(15)5-13-12(14)7-16-17-13;1-2-11-5-9(3-4-16-11)12-6-10(15)7-14-13(12)8-17-18-14/h7-9,12H,3-6,10H2,1-2H3,(H,18,19);5-6,8H,1-4,7,9H2,(H,17,21)(H,18,19);5-6,8,11H,2-4,7,9H2,1H3,(H,17,21)(H,18,19);1-5,7-9,15,19H,6H2,(H,17,18);5-7,11H,3-4,8H2,1-2H3,(H,16,17);3-8H,2H2,1H3,(H,17,18).
What are the key properties of 6-chloro-4-(2-ethyl-4-pyridinyl)-1H-indazole;8-(6-chloro-1H-indazol-4-yl)-2,8-diazaspiro[4.5]decan-3-one;1-(6-chloro-1H-indazol-4-yl)-2-phenylethanol;N-[[1-(6-chloro-1H-indazol-4-yl)piperidin-3-yl]methyl]acetamide;N-[[1-(6-chloro-1H-indazol-4-yl)piperidin-4-yl]methyl]-N-methylacetamide;N-[1-(6-chloro-1H-indazol-4-yl)pyrrolidin-3-yl]-N-methylacetamide?
6-chloro-4-(2-ethyl-4-pyridinyl)-1H-indazole;8-(6-chloro-1H-indazol-4-yl)-2,8-diazaspiro[4.5]decan-3-one;1-(6-chloro-1H-indazol-4-yl)-2-phenylethanol;N-[[1-(6-chloro-1H-indazol-4-yl)piperidin-3-yl]methyl]acetamide;N-[[1-(6-chloro-1H-indazol-4-yl)piperidin-4-yl]methyl]-N-methylacetamide;N-[1-(6-chloro-1H-indazol-4-yl)pyrrolidin-3-yl]-N-methylacetamide has a molecular weight of 1755.63 g/mol, XLogP of 17.41, 14 rotatable bonds, 9 hydrogen bond donors, and 16 hydrogen bond acceptors.
Where does this data come from?
All data for 6-chloro-4-(2-ethyl-4-pyridinyl)-1H-indazole;8-(6-chloro-1H-indazol-4-yl)-2,8-diazaspiro[4.5]decan-3-one;1-(6-chloro-1H-indazol-4-yl)-2-phenylethanol;N-[[1-(6-chloro-1H-indazol-4-yl)piperidin-3-yl]methyl]acetamide;N-[[1-(6-chloro-1H-indazol-4-yl)piperidin-4-yl]methyl]-N-methylacetamide;N-[1-(6-chloro-1H-indazol-4-yl)pyrrolidin-3-yl]-N-methylacetamide is sourced from PubChem (CID 158678354), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).