8-(6-chloro-1H-indazol-4-yl)-1,8-diazaspiro[4.5]decan-2-one;9-(6-chloro-1H-indazol-4-yl)-1,9-diazaspiro[5.5]undecan-2-one;1-[4-(6-cyclopentyl-1H-indazol-4-yl)piperidin-1-yl]ethanone;6-cyclopentyl-4-(1-methylsulfonylpiperidin-4-yl)-1H-indazole;4-[(2S)-2-methyl-4-methylsulfonylpiperazin-1-yl]-6-(trifluoromethyl)-1H-indazole

C82H103Cl2F3N18O7S2 — CID 158356919

About 8-(6-chloro-1H-indazol-4-yl)-1,8-diazaspiro[4.5]decan-2-one;9-(6-chloro-1H-indazol-4-yl)-1,9-diazaspiro[5.5]undecan-2-one;1-[4-(6-cyclopentyl-1H-indazol-4-yl)piperidin-1-yl]ethanone;6-cyclopentyl-4-(1-methylsulfonylpiperidin-4-yl)-1H-indazole;4-[(2S)-2-methyl-4-methylsulfonylpiperazin-1-yl]-6-(trifluoromethyl)-1H-indazole

8-(6-chloro-1H-indazol-4-yl)-1,8-diazaspiro[4.5]decan-2-one;9-(6-chloro-1H-indazol-4-yl)-1,9-diazaspiro[5.5]undecan-2-one;1-[4-(6-cyclopentyl-1H-indazol-4-yl)piperidin-1-yl]ethanone;6-cyclopentyl-4-(1-methylsulfonylpiperidin-4-yl)-1H-indazole;4-[(2S)-2-methyl-4-methylsulfonylpiperazin-1-yl]-6-(trifluoromethyl)-1H-indazole (PubChem CID 158356919) has the molecular formula C82H103Cl2F3N18O7S2 and a molecular weight of 1644.88 g/mol. Its IUPAC name is 8-(6-chloro-1H-indazol-4-yl)-1,8-diazaspiro[4.5]decan-2-one;9-(6-chloro-1H-indazol-4-yl)-1,9-diazaspiro[5.5]undecan-2-one;1-[4-(6-cyclopentyl-1H-indazol-4-yl)piperidin-1-yl]ethanone;6-cyclopentyl-4-(1-methylsulfonylpiperidin-4-yl)-1H-indazole;4-[(2S)-2-methyl-4-methylsulfonylpiperazin-1-yl]-6-(trifluoromethyl)-1H-indazole.

Molecular Properties

• Compound Name: 8-(6-chloro-1H-indazol-4-yl)-1,8-diazaspiro[4.5]decan-2-one;9-(6-chloro-1H-indazol-4-yl)-1,9-diazaspiro[5.5]undecan-2-one;1-[4-(6-cyclopentyl-1H-indazol-4-yl)piperidin-1-yl]ethanone;6-cyclopentyl-4-(1-methylsulfonylpiperidin-4-yl)-1H-indazole;4-[(2S)-2-methyl-4-methylsulfonylpiperazin-1-yl]-6-(trifluoromethyl)-1H-indazole
• PubChem CID: 158356919
• Molecular Formula: C82H103Cl2F3N18O7S2
• Molecular Weight: 1644.88 g/mol
• Exact Mass: 1642.70
• IUPAC Name: 8-(6-chloro-1H-indazol-4-yl)-1,8-diazaspiro[4.5]decan-2-one;9-(6-chloro-1H-indazol-4-yl)-1,9-diazaspiro[5.5]undecan-2-one;1-[4-(6-cyclopentyl-1H-indazol-4-yl)piperidin-1-yl]ethanone;6-cyclopentyl-4-(1-methylsulfonylpiperidin-4-yl)-1H-indazole;4-[(2S)-2-methyl-4-methylsulfonylpiperazin-1-yl]-6-(trifluoromethyl)-1H-indazole
• SMILES: CC(=O)N1CCC(c2cc(C3CCCC3)cc3[nH]ncc23)CC1.CS(=O)(=O)N1CCC(c2cc(C3CCCC3)cc3[nH]ncc23)CC1.C[C@H]1CN(S(C)(=O)=O)CCN1c1cc(C(F)(F)F)cc2[nH]ncc12.O=C1CCC2(CCN(c3cc(Cl)cc4[nH]ncc34)CC2)N1.O=C1CCCC2(CCN(c3cc(Cl)cc4[nH]ncc34)CC2)N1
• InChI: InChI=1S/C19H25N3O.C18H25N3O2S.C16H19ClN4O.C15H17ClN4O.C14H17F3N4O2S/c1-13(23)22-8-6-15(7-9-22)17-10-16(14-4-2-3-5-14)11-19-18(17)12-20-21-19;1-24(22,23)21-8-6-14(7-9-21)16-10-15(13-4-2-3-5-13)11-18-17(16)12-19-20-18;17-11-8-13-12(10-18-20-13)14(9-11)21-6-4-16(5-7-21)3-1-2-15(22)19-16;16-10-7-12-11(9-17-19-12)13(8-10)20-5-3-15(4-6-20)2-1-14(21)18-15;1-9-8-20(24(2,22)23)3-4-21(9)13-6-10(14(15,16)17)5-12-11(13)7-18-19-12/h10-12,14-15H,2-9H2,1H3,(H,20,21);10-14H,2-9H2,1H3,(H,19,20);8-10H,1-7H2,(H,18,20)(H,19,22);7-9H,1-6H2,(H,17,19)(H,18,21);5-7,9H,3-4,8H2,1-2H3,(H,18,19)/t;;;;9-/m....0/s1
• InChIKey: GSZKFNGQURNZDI-OJQYEMAUSA-N
• XLogP: 14.68
• TPSA: 306.39 Ų
• H-Bond Donors: 7
• H-Bond Acceptors: 15
• Rotatable Bonds: 9
• Heavy Atoms: 114
• Complexity: —

Lipinski Rule of Five

4 violations

Rule	Value
MW ≤ 500	1644.88
LogP ≤ 5	14.68
H-Bond Donors ≤ 5	7
H-Bond Acceptors ≤ 10	15

Frequently Asked Questions

What is the IUPAC name of 8-(6-chloro-1H-indazol-4-yl)-1,8-diazaspiro[4.5]decan-2-one;9-(6-chloro-1H-indazol-4-yl)-1,9-diazaspiro[5.5]undecan-2-one;1-[4-(6-cyclopentyl-1H-indazol-4-yl)piperidin-1-yl]ethanone;6-cyclopentyl-4-(1-methylsulfonylpiperidin-4-yl)-1H-indazole;4-[(2S)-2-methyl-4-methylsulfonylpiperazin-1-yl]-6-(trifluoromethyl)-1H-indazole?

The IUPAC name of 8-(6-chloro-1H-indazol-4-yl)-1,8-diazaspiro[4.5]decan-2-one;9-(6-chloro-1H-indazol-4-yl)-1,9-diazaspiro[5.5]undecan-2-one;1-[4-(6-cyclopentyl-1H-indazol-4-yl)piperidin-1-yl]ethanone;6-cyclopentyl-4-(1-methylsulfonylpiperidin-4-yl)-1H-indazole;4-[(2S)-2-methyl-4-methylsulfonylpiperazin-1-yl]-6-(trifluoromethyl)-1H-indazole (CID 158356919) is 8-(6-chloro-1H-indazol-4-yl)-1,8-diazaspiro[4.5]decan-2-one;9-(6-chloro-1H-indazol-4-yl)-1,9-diazaspiro[5.5]undecan-2-one;1-[4-(6-cyclopentyl-1H-indazol-4-yl)piperidin-1-yl]ethanone;6-cyclopentyl-4-(1-methylsulfonylpiperidin-4-yl)-1H-indazole;4-[(2S)-2-methyl-4-methylsulfonylpiperazin-1-yl]-6-(trifluoromethyl)-1H-indazole.

What is the SMILES notation for 8-(6-chloro-1H-indazol-4-yl)-1,8-diazaspiro[4.5]decan-2-one;9-(6-chloro-1H-indazol-4-yl)-1,9-diazaspiro[5.5]undecan-2-one;1-[4-(6-cyclopentyl-1H-indazol-4-yl)piperidin-1-yl]ethanone;6-cyclopentyl-4-(1-methylsulfonylpiperidin-4-yl)-1H-indazole;4-[(2S)-2-methyl-4-methylsulfonylpiperazin-1-yl]-6-(trifluoromethyl)-1H-indazole?

The canonical SMILES for 8-(6-chloro-1H-indazol-4-yl)-1,8-diazaspiro[4.5]decan-2-one;9-(6-chloro-1H-indazol-4-yl)-1,9-diazaspiro[5.5]undecan-2-one;1-[4-(6-cyclopentyl-1H-indazol-4-yl)piperidin-1-yl]ethanone;6-cyclopentyl-4-(1-methylsulfonylpiperidin-4-yl)-1H-indazole;4-[(2S)-2-methyl-4-methylsulfonylpiperazin-1-yl]-6-(trifluoromethyl)-1H-indazole is CC(=O)N1CCC(c2cc(C3CCCC3)cc3[nH]ncc23)CC1.CS(=O)(=O)N1CCC(c2cc(C3CCCC3)cc3[nH]ncc23)CC1.C[C@H]1CN(S(C)(=O)=O)CCN1c1cc(C(F)(F)F)cc2[nH]ncc12.O=C1CCC2(CCN(c3cc(Cl)cc4[nH]ncc34)CC2)N1.O=C1CCCC2(CCN(c3cc(Cl)cc4[nH]ncc34)CC2)N1.

What is the InChIKey of 8-(6-chloro-1H-indazol-4-yl)-1,8-diazaspiro[4.5]decan-2-one;9-(6-chloro-1H-indazol-4-yl)-1,9-diazaspiro[5.5]undecan-2-one;1-[4-(6-cyclopentyl-1H-indazol-4-yl)piperidin-1-yl]ethanone;6-cyclopentyl-4-(1-methylsulfonylpiperidin-4-yl)-1H-indazole;4-[(2S)-2-methyl-4-methylsulfonylpiperazin-1-yl]-6-(trifluoromethyl)-1H-indazole?

The InChIKey is GSZKFNGQURNZDI-OJQYEMAUSA-N. The full InChI is InChI=1S/C19H25N3O.C18H25N3O2S.C16H19ClN4O.C15H17ClN4O.C14H17F3N4O2S/c1-13(23)22-8-6-15(7-9-22)17-10-16(14-4-2-3-5-14)11-19-18(17)12-20-21-19;1-24(22,23)21-8-6-14(7-9-21)16-10-15(13-4-2-3-5-13)11-18-17(16)12-19-20-18;17-11-8-13-12(10-18-20-13)14(9-11)21-6-4-16(5-7-21)3-1-2-15(22)19-16;16-10-7-12-11(9-17-19-12)13(8-10)20-5-3-15(4-6-20)2-1-14(21)18-15;1-9-8-20(24(2,22)23)3-4-21(9)13-6-10(14(15,16)17)5-12-11(13)7-18-19-12/h10-12,14-15H,2-9H2,1H3,(H,20,21);10-14H,2-9H2,1H3,(H,19,20);8-10H,1-7H2,(H,18,20)(H,19,22);7-9H,1-6H2,(H,17,19)(H,18,21);5-7,9H,3-4,8H2,1-2H3,(H,18,19)/t;;;;9-/m....0/s1.

What are the key properties of 8-(6-chloro-1H-indazol-4-yl)-1,8-diazaspiro[4.5]decan-2-one;9-(6-chloro-1H-indazol-4-yl)-1,9-diazaspiro[5.5]undecan-2-one;1-[4-(6-cyclopentyl-1H-indazol-4-yl)piperidin-1-yl]ethanone;6-cyclopentyl-4-(1-methylsulfonylpiperidin-4-yl)-1H-indazole;4-[(2S)-2-methyl-4-methylsulfonylpiperazin-1-yl]-6-(trifluoromethyl)-1H-indazole?

8-(6-chloro-1H-indazol-4-yl)-1,8-diazaspiro[4.5]decan-2-one;9-(6-chloro-1H-indazol-4-yl)-1,9-diazaspiro[5.5]undecan-2-one;1-[4-(6-cyclopentyl-1H-indazol-4-yl)piperidin-1-yl]ethanone;6-cyclopentyl-4-(1-methylsulfonylpiperidin-4-yl)-1H-indazole;4-[(2S)-2-methyl-4-methylsulfonylpiperazin-1-yl]-6-(trifluoromethyl)-1H-indazole has a molecular weight of 1644.88 g/mol, XLogP of 14.68, 9 rotatable bonds, 7 hydrogen bond donors, and 15 hydrogen bond acceptors.

Where does this data come from?

All data for 8-(6-chloro-1H-indazol-4-yl)-1,8-diazaspiro[4.5]decan-2-one;9-(6-chloro-1H-indazol-4-yl)-1,9-diazaspiro[5.5]undecan-2-one;1-[4-(6-cyclopentyl-1H-indazol-4-yl)piperidin-1-yl]ethanone;6-cyclopentyl-4-(1-methylsulfonylpiperidin-4-yl)-1H-indazole;4-[(2S)-2-methyl-4-methylsulfonylpiperazin-1-yl]-6-(trifluoromethyl)-1H-indazole is sourced from PubChem (CID 158356919), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).