6-chloro-4-(3,6-dihydro-2H-pyridin-1-yl)-1H-indazole;2-(6-chloro-1H-indazol-4-yl)-3,4-dihydro-1H-2,7-naphthyridine;8-(6-chloro-1H-indazol-4-yl)-2-methylsulfonyl-2,8-diazaspiro[4.5]decane;1-[4-[4-(6-chloro-1H-indazol-4-yl)pyrazol-1-yl]piperidin-1-yl]ethanone;6-chloro-4-[1-(1-methylsulfonylpiperidin-4-yl)pyrazol-4-yl]-1H-indazole

C76H82Cl5N21O5S2 — CID 158331473

IUPAC6-chloro-4-(3,6-dihydro-2H-pyridin-1-yl)-1H-indazole;2-(6-chloro-1H-indazol-4-yl)-3,4-dihydro-1H-2,7-naphthyridine;8-(6-chloro-1H-indazol-4-yl)-2-methylsulfonyl-2,8-diazaspiro[4.5]decane;1-[4-[4-(6-chloro-1H-indazol-4-yl)pyrazol-1-yl]piperidin-1-yl]ethanone;6-chloro-4-[1-(1-methylsulfonylpiperidin-4-yl)pyrazol-4-yl]-1H-indazole
SMILESCC(=O)N1CCC(n2cc(-c3cc(Cl)cc4[nH]ncc34)cn2)CC1.CS(=O)(=O)N1CCC(n2cc(-c3cc(Cl)cc4[nH]ncc34)cn2)CC1.CS(=O)(=O)N1CCC2(CCN(c3cc(Cl)cc4[nH]ncc34)CC2)C1.Clc1cc(N2CC=CCC2)c2cn[nH]c2c1.Clc1cc(N2CCc3ccncc3C2)c2cn[nH]c2c1
InChIInChI=1S/C17H18ClN5O.C16H18ClN5O2S.C16H21ClN4O2S.C15H13ClN4.C12H12ClN3/c1-11(24)22-4-2-14(3-5-22)23-10-12(8-20-23)15-6-13(18)7-17-16(15)9-19-21-17;1-25(23,24)21-4-2-13(3-5-21)22-10-11(8-19-22)14-6-12(17)7-16-15(14)9-18-20-16;1-24(22,23)21-7-4-16(11-21)2-5-20(6-3-16)15-9-12(17)8-14-13(15)10-18-19-14;16-12-5-14-13(8-18-19-14)15(6-12)20-4-2-10-1-3-17-7-11(10)9-20;13-9-6-11-10(8-14-15-11)12(7-9)16-4-2-1-3-5-16/h6-10,14H,2-5H2,1H3,(H,19,21);6-10,13H,2-5H2,1H3,(H,18,20);8-10H,2-7,11H2,1H3,(H,18,19);1,3,5-8H,2,4,9H2,(H,18,19);1-2,6-8H,3-5H2,(H,14,15)
InChIKeyGQBIABWQYAHOHF-UHFFFAOYSA-N
MW1611.03 g/mol
LogP14.56
Rot. Bonds9

About 6-chloro-4-(3,6-dihydro-2H-pyridin-1-yl)-1H-indazole;2-(6-chloro-1H-indazol-4-yl)-3,4-dihydro-1H-2,7-naphthyridine;8-(6-chloro-1H-indazol-4-yl)-2-methylsulfonyl-2,8-diazaspiro[4.5]decane;1-[4-[4-(6-chloro-1H-indazol-4-yl)pyrazol-1-yl]piperidin-1-yl]ethanone;6-chloro-4-[1-(1-methylsulfonylpiperidin-4-yl)pyrazol-4-yl]-1H-indazole

6-chloro-4-(3,6-dihydro-2H-pyridin-1-yl)-1H-indazole;2-(6-chloro-1H-indazol-4-yl)-3,4-dihydro-1H-2,7-naphthyridine;8-(6-chloro-1H-indazol-4-yl)-2-methylsulfonyl-2,8-diazaspiro[4.5]decane;1-[4-[4-(6-chloro-1H-indazol-4-yl)pyrazol-1-yl]piperidin-1-yl]ethanone;6-chloro-4-[1-(1-methylsulfonylpiperidin-4-yl)pyrazol-4-yl]-1H-indazole (PubChem CID 158331473) has the molecular formula C76H82Cl5N21O5S2 and a molecular weight of 1611.03 g/mol. Its IUPAC name is 6-chloro-4-(3,6-dihydro-2H-pyridin-1-yl)-1H-indazole;2-(6-chloro-1H-indazol-4-yl)-3,4-dihydro-1H-2,7-naphthyridine;8-(6-chloro-1H-indazol-4-yl)-2-methylsulfonyl-2,8-diazaspiro[4.5]decane;1-[4-[4-(6-chloro-1H-indazol-4-yl)pyrazol-1-yl]piperidin-1-yl]ethanone;6-chloro-4-[1-(1-methylsulfonylpiperidin-4-yl)pyrazol-4-yl]-1H-indazole.

Molecular Properties

Compound Name6-chloro-4-(3,6-dihydro-2H-pyridin-1-yl)-1H-indazole;2-(6-chloro-1H-indazol-4-yl)-3,4-dihydro-1H-2,7-naphthyridine;8-(6-chloro-1H-indazol-4-yl)-2-methylsulfonyl-2,8-diazaspiro[4.5]decane;1-[4-[4-(6-chloro-1H-indazol-4-yl)pyrazol-1-yl]piperidin-1-yl]ethanone;6-chloro-4-[1-(1-methylsulfonylpiperidin-4-yl)pyrazol-4-yl]-1H-indazole
PubChem CID158331473
Molecular FormulaC76H82Cl5N21O5S2
Molecular Weight1611.03 g/mol
Exact Mass1607.47
IUPAC Name6-chloro-4-(3,6-dihydro-2H-pyridin-1-yl)-1H-indazole;2-(6-chloro-1H-indazol-4-yl)-3,4-dihydro-1H-2,7-naphthyridine;8-(6-chloro-1H-indazol-4-yl)-2-methylsulfonyl-2,8-diazaspiro[4.5]decane;1-[4-[4-(6-chloro-1H-indazol-4-yl)pyrazol-1-yl]piperidin-1-yl]ethanone;6-chloro-4-[1-(1-methylsulfonylpiperidin-4-yl)pyrazol-4-yl]-1H-indazole
SMILESCC(=O)N1CCC(n2cc(-c3cc(Cl)cc4[nH]ncc34)cn2)CC1.CS(=O)(=O)N1CCC(n2cc(-c3cc(Cl)cc4[nH]ncc34)cn2)CC1.CS(=O)(=O)N1CCC2(CCN(c3cc(Cl)cc4[nH]ncc34)CC2)C1.Clc1cc(N2CC=CCC2)c2cn[nH]c2c1.Clc1cc(N2CCc3ccncc3C2)c2cn[nH]c2c1
InChIInChI=1S/C17H18ClN5O.C16H18ClN5O2S.C16H21ClN4O2S.C15H13ClN4.C12H12ClN3/c1-11(24)22-4-2-14(3-5-22)23-10-12(8-20-23)15-6-13(18)7-17-16(15)9-19-21-17;1-25(23,24)21-4-2-13(3-5-21)22-10-11(8-19-22)14-6-12(17)7-16-15(14)9-18-20-16;1-24(22,23)21-7-4-16(11-21)2-5-20(6-3-16)15-9-12(17)8-14-13(15)10-18-19-14;16-12-5-14-13(8-18-19-14)15(6-12)20-4-2-10-1-3-17-7-11(10)9-20;13-9-6-11-10(8-14-15-11)12(7-9)16-4-2-1-3-5-16/h6-10,14H,2-5H2,1H3,(H,19,21);6-10,13H,2-5H2,1H3,(H,18,20);8-10H,2-7,11H2,1H3,(H,18,19);1,3,5-8H,2,4,9H2,(H,18,19);1-2,6-8H,3-5H2,(H,14,15)
InChIKeyGQBIABWQYAHOHF-UHFFFAOYSA-N
XLogP14.56
TPSA296.72 Ų
H-Bond Donors5
H-Bond Acceptors18
Rotatable Bonds9
Heavy Atoms109
Complexity

Lipinski Rule of Five

3 violations

RuleValue
MW ≤ 5001611.03
LogP ≤ 514.56
H-Bond Donors ≤ 55
H-Bond Acceptors ≤ 1018

Computed Properties (RDKit)

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

Analyze 6-chloro-4-(3,6-dihydro-2H-pyridin-1-yl)-1H-indazole;2-(6-chloro-1H-indazol-4-yl)-3,4-dihydro-1H-2,7-naphthyridine;8-(6-chloro-1H-indazol-4-yl)-2-methylsulfonyl-2,8-diazaspiro[4.5]decane;1-[4-[4-(6-chloro-1H-indazol-4-yl)pyrazol-1-yl]piperidin-1-yl]ethanone;6-chloro-4-[1-(1-methylsulfonylpiperidin-4-yl)pyrazol-4-yl]-1H-indazole with MolForge

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Frequently Asked Questions

What is the IUPAC name of 6-chloro-4-(3,6-dihydro-2H-pyridin-1-yl)-1H-indazole;2-(6-chloro-1H-indazol-4-yl)-3,4-dihydro-1H-2,7-naphthyridine;8-(6-chloro-1H-indazol-4-yl)-2-methylsulfonyl-2,8-diazaspiro[4.5]decane;1-[4-[4-(6-chloro-1H-indazol-4-yl)pyrazol-1-yl]piperidin-1-yl]ethanone;6-chloro-4-[1-(1-methylsulfonylpiperidin-4-yl)pyrazol-4-yl]-1H-indazole?
The IUPAC name of 6-chloro-4-(3,6-dihydro-2H-pyridin-1-yl)-1H-indazole;2-(6-chloro-1H-indazol-4-yl)-3,4-dihydro-1H-2,7-naphthyridine;8-(6-chloro-1H-indazol-4-yl)-2-methylsulfonyl-2,8-diazaspiro[4.5]decane;1-[4-[4-(6-chloro-1H-indazol-4-yl)pyrazol-1-yl]piperidin-1-yl]ethanone;6-chloro-4-[1-(1-methylsulfonylpiperidin-4-yl)pyrazol-4-yl]-1H-indazole (CID 158331473) is 6-chloro-4-(3,6-dihydro-2H-pyridin-1-yl)-1H-indazole;2-(6-chloro-1H-indazol-4-yl)-3,4-dihydro-1H-2,7-naphthyridine;8-(6-chloro-1H-indazol-4-yl)-2-methylsulfonyl-2,8-diazaspiro[4.5]decane;1-[4-[4-(6-chloro-1H-indazol-4-yl)pyrazol-1-yl]piperidin-1-yl]ethanone;6-chloro-4-[1-(1-methylsulfonylpiperidin-4-yl)pyrazol-4-yl]-1H-indazole.
What is the SMILES notation for 6-chloro-4-(3,6-dihydro-2H-pyridin-1-yl)-1H-indazole;2-(6-chloro-1H-indazol-4-yl)-3,4-dihydro-1H-2,7-naphthyridine;8-(6-chloro-1H-indazol-4-yl)-2-methylsulfonyl-2,8-diazaspiro[4.5]decane;1-[4-[4-(6-chloro-1H-indazol-4-yl)pyrazol-1-yl]piperidin-1-yl]ethanone;6-chloro-4-[1-(1-methylsulfonylpiperidin-4-yl)pyrazol-4-yl]-1H-indazole?
The canonical SMILES for 6-chloro-4-(3,6-dihydro-2H-pyridin-1-yl)-1H-indazole;2-(6-chloro-1H-indazol-4-yl)-3,4-dihydro-1H-2,7-naphthyridine;8-(6-chloro-1H-indazol-4-yl)-2-methylsulfonyl-2,8-diazaspiro[4.5]decane;1-[4-[4-(6-chloro-1H-indazol-4-yl)pyrazol-1-yl]piperidin-1-yl]ethanone;6-chloro-4-[1-(1-methylsulfonylpiperidin-4-yl)pyrazol-4-yl]-1H-indazole is CC(=O)N1CCC(n2cc(-c3cc(Cl)cc4[nH]ncc34)cn2)CC1.CS(=O)(=O)N1CCC(n2cc(-c3cc(Cl)cc4[nH]ncc34)cn2)CC1.CS(=O)(=O)N1CCC2(CCN(c3cc(Cl)cc4[nH]ncc34)CC2)C1.Clc1cc(N2CC=CCC2)c2cn[nH]c2c1.Clc1cc(N2CCc3ccncc3C2)c2cn[nH]c2c1.
What is the InChIKey of 6-chloro-4-(3,6-dihydro-2H-pyridin-1-yl)-1H-indazole;2-(6-chloro-1H-indazol-4-yl)-3,4-dihydro-1H-2,7-naphthyridine;8-(6-chloro-1H-indazol-4-yl)-2-methylsulfonyl-2,8-diazaspiro[4.5]decane;1-[4-[4-(6-chloro-1H-indazol-4-yl)pyrazol-1-yl]piperidin-1-yl]ethanone;6-chloro-4-[1-(1-methylsulfonylpiperidin-4-yl)pyrazol-4-yl]-1H-indazole?
The InChIKey is GQBIABWQYAHOHF-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H18ClN5O.C16H18ClN5O2S.C16H21ClN4O2S.C15H13ClN4.C12H12ClN3/c1-11(24)22-4-2-14(3-5-22)23-10-12(8-20-23)15-6-13(18)7-17-16(15)9-19-21-17;1-25(23,24)21-4-2-13(3-5-21)22-10-11(8-19-22)14-6-12(17)7-16-15(14)9-18-20-16;1-24(22,23)21-7-4-16(11-21)2-5-20(6-3-16)15-9-12(17)8-14-13(15)10-18-19-14;16-12-5-14-13(8-18-19-14)15(6-12)20-4-2-10-1-3-17-7-11(10)9-20;13-9-6-11-10(8-14-15-11)12(7-9)16-4-2-1-3-5-16/h6-10,14H,2-5H2,1H3,(H,19,21);6-10,13H,2-5H2,1H3,(H,18,20);8-10H,2-7,11H2,1H3,(H,18,19);1,3,5-8H,2,4,9H2,(H,18,19);1-2,6-8H,3-5H2,(H,14,15).
What are the key properties of 6-chloro-4-(3,6-dihydro-2H-pyridin-1-yl)-1H-indazole;2-(6-chloro-1H-indazol-4-yl)-3,4-dihydro-1H-2,7-naphthyridine;8-(6-chloro-1H-indazol-4-yl)-2-methylsulfonyl-2,8-diazaspiro[4.5]decane;1-[4-[4-(6-chloro-1H-indazol-4-yl)pyrazol-1-yl]piperidin-1-yl]ethanone;6-chloro-4-[1-(1-methylsulfonylpiperidin-4-yl)pyrazol-4-yl]-1H-indazole?
6-chloro-4-(3,6-dihydro-2H-pyridin-1-yl)-1H-indazole;2-(6-chloro-1H-indazol-4-yl)-3,4-dihydro-1H-2,7-naphthyridine;8-(6-chloro-1H-indazol-4-yl)-2-methylsulfonyl-2,8-diazaspiro[4.5]decane;1-[4-[4-(6-chloro-1H-indazol-4-yl)pyrazol-1-yl]piperidin-1-yl]ethanone;6-chloro-4-[1-(1-methylsulfonylpiperidin-4-yl)pyrazol-4-yl]-1H-indazole has a molecular weight of 1611.03 g/mol, XLogP of 14.56, 9 rotatable bonds, 5 hydrogen bond donors, and 18 hydrogen bond acceptors.
Where does this data come from?
All data for 6-chloro-4-(3,6-dihydro-2H-pyridin-1-yl)-1H-indazole;2-(6-chloro-1H-indazol-4-yl)-3,4-dihydro-1H-2,7-naphthyridine;8-(6-chloro-1H-indazol-4-yl)-2-methylsulfonyl-2,8-diazaspiro[4.5]decane;1-[4-[4-(6-chloro-1H-indazol-4-yl)pyrazol-1-yl]piperidin-1-yl]ethanone;6-chloro-4-[1-(1-methylsulfonylpiperidin-4-yl)pyrazol-4-yl]-1H-indazole is sourced from PubChem (CID 158331473), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).