1-[4-(6-chloro-1H-indazol-4-yl)piperazin-1-yl]-3-fluoropropan-1-one;[4-(6-chloro-1H-indazol-4-yl)piperidin-1-yl]-(1-hydroxycyclopropyl)methanone;1-[1-(6-chloro-1H-indazol-4-yl)pyrrolidin-3-yl]propan-2-one;6-chloro-4-[(2R)-2-methyl-4-methylsulfonylpiperazin-1-yl]-1H-indazole;4-(4-methylsulfonylpiperazin-1-yl)-1H-indazole-6-carbonitrile

C70H82Cl4FN19O8S2 — CID 158260488

IUPAC1-[4-(6-chloro-1H-indazol-4-yl)piperazin-1-yl]-3-fluoropropan-1-one;[4-(6-chloro-1H-indazol-4-yl)piperidin-1-yl]-(1-hydroxycyclopropyl)methanone;1-[1-(6-chloro-1H-indazol-4-yl)pyrrolidin-3-yl]propan-2-one;6-chloro-4-[(2R)-2-methyl-4-methylsulfonylpiperazin-1-yl]-1H-indazole;4-(4-methylsulfonylpiperazin-1-yl)-1H-indazole-6-carbonitrile
SMILESCC(=O)CC1CCN(c2cc(Cl)cc3[nH]ncc23)C1.CS(=O)(=O)N1CCN(c2cc(C#N)cc3[nH]ncc23)CC1.C[C@@H]1CN(S(C)(=O)=O)CCN1c1cc(Cl)cc2[nH]ncc12.O=C(CCF)N1CCN(c2cc(Cl)cc3[nH]ncc23)CC1.O=C(N1CCC(c2cc(Cl)cc3[nH]ncc23)CC1)C1(O)CC1
InChIInChI=1S/C16H18ClN3O2.C14H16ClFN4O.C14H16ClN3O.C13H17ClN4O2S.C13H15N5O2S/c17-11-7-12(13-9-18-19-14(13)8-11)10-1-5-20(6-2-10)15(21)16(22)3-4-16;15-10-7-12-11(9-17-18-12)13(8-10)19-3-5-20(6-4-19)14(21)1-2-16;1-9(19)4-10-2-3-18(8-10)14-6-11(15)5-13-12(14)7-16-17-13;1-9-8-17(21(2,19)20)3-4-18(9)13-6-10(14)5-12-11(13)7-15-16-12;1-21(19,20)18-4-2-17(3-5-18)13-7-10(8-14)6-12-11(13)9-15-16-12/h7-10,22H,1-6H2,(H,18,19);7-9H,1-6H2,(H,17,18);5-7,10H,2-4,8H2,1H3,(H,16,17);5-7,9H,3-4,8H2,1-2H3,(H,15,16);6-7,9H,2-5H2,1H3,(H,15,16)/t;;;9-;/m...1./s1
InChIKeyGHUVFNDYAJWCIX-IBWHDOKRSA-N
MW1542.49 g/mol
LogP9.90
Rot. Bonds12

About 1-[4-(6-chloro-1H-indazol-4-yl)piperazin-1-yl]-3-fluoropropan-1-one;[4-(6-chloro-1H-indazol-4-yl)piperidin-1-yl]-(1-hydroxycyclopropyl)methanone;1-[1-(6-chloro-1H-indazol-4-yl)pyrrolidin-3-yl]propan-2-one;6-chloro-4-[(2R)-2-methyl-4-methylsulfonylpiperazin-1-yl]-1H-indazole;4-(4-methylsulfonylpiperazin-1-yl)-1H-indazole-6-carbonitrile

1-[4-(6-chloro-1H-indazol-4-yl)piperazin-1-yl]-3-fluoropropan-1-one;[4-(6-chloro-1H-indazol-4-yl)piperidin-1-yl]-(1-hydroxycyclopropyl)methanone;1-[1-(6-chloro-1H-indazol-4-yl)pyrrolidin-3-yl]propan-2-one;6-chloro-4-[(2R)-2-methyl-4-methylsulfonylpiperazin-1-yl]-1H-indazole;4-(4-methylsulfonylpiperazin-1-yl)-1H-indazole-6-carbonitrile (PubChem CID 158260488) has the molecular formula C70H82Cl4FN19O8S2 and a molecular weight of 1542.49 g/mol. Its IUPAC name is 1-[4-(6-chloro-1H-indazol-4-yl)piperazin-1-yl]-3-fluoropropan-1-one;[4-(6-chloro-1H-indazol-4-yl)piperidin-1-yl]-(1-hydroxycyclopropyl)methanone;1-[1-(6-chloro-1H-indazol-4-yl)pyrrolidin-3-yl]propan-2-one;6-chloro-4-[(2R)-2-methyl-4-methylsulfonylpiperazin-1-yl]-1H-indazole;4-(4-methylsulfonylpiperazin-1-yl)-1H-indazole-6-carbonitrile.

Molecular Properties

Compound Name1-[4-(6-chloro-1H-indazol-4-yl)piperazin-1-yl]-3-fluoropropan-1-one;[4-(6-chloro-1H-indazol-4-yl)piperidin-1-yl]-(1-hydroxycyclopropyl)methanone;1-[1-(6-chloro-1H-indazol-4-yl)pyrrolidin-3-yl]propan-2-one;6-chloro-4-[(2R)-2-methyl-4-methylsulfonylpiperazin-1-yl]-1H-indazole;4-(4-methylsulfonylpiperazin-1-yl)-1H-indazole-6-carbonitrile
PubChem CID158260488
Molecular FormulaC70H82Cl4FN19O8S2
Molecular Weight1542.49 g/mol
Exact Mass1539.48
IUPAC Name1-[4-(6-chloro-1H-indazol-4-yl)piperazin-1-yl]-3-fluoropropan-1-one;[4-(6-chloro-1H-indazol-4-yl)piperidin-1-yl]-(1-hydroxycyclopropyl)methanone;1-[1-(6-chloro-1H-indazol-4-yl)pyrrolidin-3-yl]propan-2-one;6-chloro-4-[(2R)-2-methyl-4-methylsulfonylpiperazin-1-yl]-1H-indazole;4-(4-methylsulfonylpiperazin-1-yl)-1H-indazole-6-carbonitrile
SMILESCC(=O)CC1CCN(c2cc(Cl)cc3[nH]ncc23)C1.CS(=O)(=O)N1CCN(c2cc(C#N)cc3[nH]ncc23)CC1.C[C@@H]1CN(S(C)(=O)=O)CCN1c1cc(Cl)cc2[nH]ncc12.O=C(CCF)N1CCN(c2cc(Cl)cc3[nH]ncc23)CC1.O=C(N1CCC(c2cc(Cl)cc3[nH]ncc23)CC1)C1(O)CC1
InChIInChI=1S/C16H18ClN3O2.C14H16ClFN4O.C14H16ClN3O.C13H17ClN4O2S.C13H15N5O2S/c17-11-7-12(13-9-18-19-14(13)8-11)10-1-5-20(6-2-10)15(21)16(22)3-4-16;15-10-7-12-11(9-17-18-12)13(8-10)19-3-5-20(6-4-19)14(21)1-2-16;1-9(19)4-10-2-3-18(8-10)14-6-11(15)5-13-12(14)7-16-17-13;1-9-8-17(21(2,19)20)3-4-18(9)13-6-10(14)5-12-11(13)7-15-16-12;1-21(19,20)18-4-2-17(3-5-18)13-7-10(8-14)6-12-11(13)9-15-16-12/h7-10,22H,1-6H2,(H,18,19);7-9H,1-6H2,(H,17,18);5-7,10H,2-4,8H2,1H3,(H,16,17);5-7,9H,3-4,8H2,1-2H3,(H,15,16);6-7,9H,2-5H2,1H3,(H,15,16)/t;;;9-;/m...1./s1
InChIKeyGHUVFNDYAJWCIX-IBWHDOKRSA-N
XLogP9.90
TPSA332.83 Ų
H-Bond Donors6
H-Bond Acceptors18
Rotatable Bonds12
Heavy Atoms104
Complexity

Lipinski Rule of Five

4 violations

RuleValue
MW ≤ 5001542.49
LogP ≤ 59.90
H-Bond Donors ≤ 56
H-Bond Acceptors ≤ 1018

Analyze 1-[4-(6-chloro-1H-indazol-4-yl)piperazin-1-yl]-3-fluoropropan-1-one;[4-(6-chloro-1H-indazol-4-yl)piperidin-1-yl]-(1-hydroxycyclopropyl)methanone;1-[1-(6-chloro-1H-indazol-4-yl)pyrrolidin-3-yl]propan-2-one;6-chloro-4-[(2R)-2-methyl-4-methylsulfonylpiperazin-1-yl]-1H-indazole;4-(4-methylsulfonylpiperazin-1-yl)-1H-indazole-6-carbonitrile with MolForge

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Frequently Asked Questions

What is the IUPAC name of 1-[4-(6-chloro-1H-indazol-4-yl)piperazin-1-yl]-3-fluoropropan-1-one;[4-(6-chloro-1H-indazol-4-yl)piperidin-1-yl]-(1-hydroxycyclopropyl)methanone;1-[1-(6-chloro-1H-indazol-4-yl)pyrrolidin-3-yl]propan-2-one;6-chloro-4-[(2R)-2-methyl-4-methylsulfonylpiperazin-1-yl]-1H-indazole;4-(4-methylsulfonylpiperazin-1-yl)-1H-indazole-6-carbonitrile?
The IUPAC name of 1-[4-(6-chloro-1H-indazol-4-yl)piperazin-1-yl]-3-fluoropropan-1-one;[4-(6-chloro-1H-indazol-4-yl)piperidin-1-yl]-(1-hydroxycyclopropyl)methanone;1-[1-(6-chloro-1H-indazol-4-yl)pyrrolidin-3-yl]propan-2-one;6-chloro-4-[(2R)-2-methyl-4-methylsulfonylpiperazin-1-yl]-1H-indazole;4-(4-methylsulfonylpiperazin-1-yl)-1H-indazole-6-carbonitrile (CID 158260488) is 1-[4-(6-chloro-1H-indazol-4-yl)piperazin-1-yl]-3-fluoropropan-1-one;[4-(6-chloro-1H-indazol-4-yl)piperidin-1-yl]-(1-hydroxycyclopropyl)methanone;1-[1-(6-chloro-1H-indazol-4-yl)pyrrolidin-3-yl]propan-2-one;6-chloro-4-[(2R)-2-methyl-4-methylsulfonylpiperazin-1-yl]-1H-indazole;4-(4-methylsulfonylpiperazin-1-yl)-1H-indazole-6-carbonitrile.
What is the SMILES notation for 1-[4-(6-chloro-1H-indazol-4-yl)piperazin-1-yl]-3-fluoropropan-1-one;[4-(6-chloro-1H-indazol-4-yl)piperidin-1-yl]-(1-hydroxycyclopropyl)methanone;1-[1-(6-chloro-1H-indazol-4-yl)pyrrolidin-3-yl]propan-2-one;6-chloro-4-[(2R)-2-methyl-4-methylsulfonylpiperazin-1-yl]-1H-indazole;4-(4-methylsulfonylpiperazin-1-yl)-1H-indazole-6-carbonitrile?
The canonical SMILES for 1-[4-(6-chloro-1H-indazol-4-yl)piperazin-1-yl]-3-fluoropropan-1-one;[4-(6-chloro-1H-indazol-4-yl)piperidin-1-yl]-(1-hydroxycyclopropyl)methanone;1-[1-(6-chloro-1H-indazol-4-yl)pyrrolidin-3-yl]propan-2-one;6-chloro-4-[(2R)-2-methyl-4-methylsulfonylpiperazin-1-yl]-1H-indazole;4-(4-methylsulfonylpiperazin-1-yl)-1H-indazole-6-carbonitrile is CC(=O)CC1CCN(c2cc(Cl)cc3[nH]ncc23)C1.CS(=O)(=O)N1CCN(c2cc(C#N)cc3[nH]ncc23)CC1.C[C@@H]1CN(S(C)(=O)=O)CCN1c1cc(Cl)cc2[nH]ncc12.O=C(CCF)N1CCN(c2cc(Cl)cc3[nH]ncc23)CC1.O=C(N1CCC(c2cc(Cl)cc3[nH]ncc23)CC1)C1(O)CC1.
What is the InChIKey of 1-[4-(6-chloro-1H-indazol-4-yl)piperazin-1-yl]-3-fluoropropan-1-one;[4-(6-chloro-1H-indazol-4-yl)piperidin-1-yl]-(1-hydroxycyclopropyl)methanone;1-[1-(6-chloro-1H-indazol-4-yl)pyrrolidin-3-yl]propan-2-one;6-chloro-4-[(2R)-2-methyl-4-methylsulfonylpiperazin-1-yl]-1H-indazole;4-(4-methylsulfonylpiperazin-1-yl)-1H-indazole-6-carbonitrile?
The InChIKey is GHUVFNDYAJWCIX-IBWHDOKRSA-N. The full InChI is InChI=1S/C16H18ClN3O2.C14H16ClFN4O.C14H16ClN3O.C13H17ClN4O2S.C13H15N5O2S/c17-11-7-12(13-9-18-19-14(13)8-11)10-1-5-20(6-2-10)15(21)16(22)3-4-16;15-10-7-12-11(9-17-18-12)13(8-10)19-3-5-20(6-4-19)14(21)1-2-16;1-9(19)4-10-2-3-18(8-10)14-6-11(15)5-13-12(14)7-16-17-13;1-9-8-17(21(2,19)20)3-4-18(9)13-6-10(14)5-12-11(13)7-15-16-12;1-21(19,20)18-4-2-17(3-5-18)13-7-10(8-14)6-12-11(13)9-15-16-12/h7-10,22H,1-6H2,(H,18,19);7-9H,1-6H2,(H,17,18);5-7,10H,2-4,8H2,1H3,(H,16,17);5-7,9H,3-4,8H2,1-2H3,(H,15,16);6-7,9H,2-5H2,1H3,(H,15,16)/t;;;9-;/m...1./s1.
What are the key properties of 1-[4-(6-chloro-1H-indazol-4-yl)piperazin-1-yl]-3-fluoropropan-1-one;[4-(6-chloro-1H-indazol-4-yl)piperidin-1-yl]-(1-hydroxycyclopropyl)methanone;1-[1-(6-chloro-1H-indazol-4-yl)pyrrolidin-3-yl]propan-2-one;6-chloro-4-[(2R)-2-methyl-4-methylsulfonylpiperazin-1-yl]-1H-indazole;4-(4-methylsulfonylpiperazin-1-yl)-1H-indazole-6-carbonitrile?
1-[4-(6-chloro-1H-indazol-4-yl)piperazin-1-yl]-3-fluoropropan-1-one;[4-(6-chloro-1H-indazol-4-yl)piperidin-1-yl]-(1-hydroxycyclopropyl)methanone;1-[1-(6-chloro-1H-indazol-4-yl)pyrrolidin-3-yl]propan-2-one;6-chloro-4-[(2R)-2-methyl-4-methylsulfonylpiperazin-1-yl]-1H-indazole;4-(4-methylsulfonylpiperazin-1-yl)-1H-indazole-6-carbonitrile has a molecular weight of 1542.49 g/mol, XLogP of 9.90, 12 rotatable bonds, 6 hydrogen bond donors, and 18 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[4-(6-chloro-1H-indazol-4-yl)piperazin-1-yl]-3-fluoropropan-1-one;[4-(6-chloro-1H-indazol-4-yl)piperidin-1-yl]-(1-hydroxycyclopropyl)methanone;1-[1-(6-chloro-1H-indazol-4-yl)pyrrolidin-3-yl]propan-2-one;6-chloro-4-[(2R)-2-methyl-4-methylsulfonylpiperazin-1-yl]-1H-indazole;4-(4-methylsulfonylpiperazin-1-yl)-1H-indazole-6-carbonitrile is sourced from PubChem (CID 158260488), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).