1-(6-chloro-1H-indazol-4-yl)-N,N-dimethylpiperidine-3-carboxamide;1-(6-chloro-1H-indazol-4-yl)-N-methylpiperidine-3-carboxamide;N-methyl-N-[4-(4-methylsulfonylpiperazin-1-yl)-1H-indazol-6-yl]acetamide;4-[(2S)-2-methyl-4-methylsulfonylpiperazin-1-yl]-6-(trifluoromethyl)-1H-indazole

C58H74Cl2F3N17O7S2 — CID 159480763

IUPAC1-(6-chloro-1H-indazol-4-yl)-N,N-dimethylpiperidine-3-carboxamide;1-(6-chloro-1H-indazol-4-yl)-N-methylpiperidine-3-carboxamide;N-methyl-N-[4-(4-methylsulfonylpiperazin-1-yl)-1H-indazol-6-yl]acetamide;4-[(2S)-2-methyl-4-methylsulfonylpiperazin-1-yl]-6-(trifluoromethyl)-1H-indazole
SMILESCC(=O)N(C)c1cc(N2CCN(S(C)(=O)=O)CC2)c2cn[nH]c2c1.CN(C)C(=O)C1CCCN(c2cc(Cl)cc3[nH]ncc23)C1.CNC(=O)C1CCCN(c2cc(Cl)cc3[nH]ncc23)C1.C[C@H]1CN(S(C)(=O)=O)CCN1c1cc(C(F)(F)F)cc2[nH]ncc12
InChIInChI=1S/C15H19ClN4O.C15H21N5O3S.C14H17ClN4O.C14H17F3N4O2S/c1-19(2)15(21)10-4-3-5-20(9-10)14-7-11(16)6-13-12(14)8-17-18-13;1-11(21)18(2)12-8-14-13(10-16-17-14)15(9-12)19-4-6-20(7-5-19)24(3,22)23;1-16-14(20)9-3-2-4-19(8-9)13-6-10(15)5-12-11(13)7-17-18-12;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/h6-8,10H,3-5,9H2,1-2H3,(H,17,18);8-10H,4-7H2,1-3H3,(H,16,17);5-7,9H,2-4,8H2,1H3,(H,16,20)(H,17,18);5-7,9H,3-4,8H2,1-2H3,(H,18,19)/t;;;9-/m...0/s1
InChIKeyLWYYSLRVRYZNQV-RWYKCJGHSA-N
MW1313.38 g/mol
LogP7.38
Rot. Bonds9

About 1-(6-chloro-1H-indazol-4-yl)-N,N-dimethylpiperidine-3-carboxamide;1-(6-chloro-1H-indazol-4-yl)-N-methylpiperidine-3-carboxamide;N-methyl-N-[4-(4-methylsulfonylpiperazin-1-yl)-1H-indazol-6-yl]acetamide;4-[(2S)-2-methyl-4-methylsulfonylpiperazin-1-yl]-6-(trifluoromethyl)-1H-indazole

1-(6-chloro-1H-indazol-4-yl)-N,N-dimethylpiperidine-3-carboxamide;1-(6-chloro-1H-indazol-4-yl)-N-methylpiperidine-3-carboxamide;N-methyl-N-[4-(4-methylsulfonylpiperazin-1-yl)-1H-indazol-6-yl]acetamide;4-[(2S)-2-methyl-4-methylsulfonylpiperazin-1-yl]-6-(trifluoromethyl)-1H-indazole (PubChem CID 159480763) has the molecular formula C58H74Cl2F3N17O7S2 and a molecular weight of 1313.38 g/mol. Its IUPAC name is 1-(6-chloro-1H-indazol-4-yl)-N,N-dimethylpiperidine-3-carboxamide;1-(6-chloro-1H-indazol-4-yl)-N-methylpiperidine-3-carboxamide;N-methyl-N-[4-(4-methylsulfonylpiperazin-1-yl)-1H-indazol-6-yl]acetamide;4-[(2S)-2-methyl-4-methylsulfonylpiperazin-1-yl]-6-(trifluoromethyl)-1H-indazole.

Molecular Properties

Compound Name1-(6-chloro-1H-indazol-4-yl)-N,N-dimethylpiperidine-3-carboxamide;1-(6-chloro-1H-indazol-4-yl)-N-methylpiperidine-3-carboxamide;N-methyl-N-[4-(4-methylsulfonylpiperazin-1-yl)-1H-indazol-6-yl]acetamide;4-[(2S)-2-methyl-4-methylsulfonylpiperazin-1-yl]-6-(trifluoromethyl)-1H-indazole
PubChem CID159480763
Molecular FormulaC58H74Cl2F3N17O7S2
Molecular Weight1313.38 g/mol
Exact Mass1311.47
IUPAC Name1-(6-chloro-1H-indazol-4-yl)-N,N-dimethylpiperidine-3-carboxamide;1-(6-chloro-1H-indazol-4-yl)-N-methylpiperidine-3-carboxamide;N-methyl-N-[4-(4-methylsulfonylpiperazin-1-yl)-1H-indazol-6-yl]acetamide;4-[(2S)-2-methyl-4-methylsulfonylpiperazin-1-yl]-6-(trifluoromethyl)-1H-indazole
SMILESCC(=O)N(C)c1cc(N2CCN(S(C)(=O)=O)CC2)c2cn[nH]c2c1.CN(C)C(=O)C1CCCN(c2cc(Cl)cc3[nH]ncc23)C1.CNC(=O)C1CCCN(c2cc(Cl)cc3[nH]ncc23)C1.C[C@H]1CN(S(C)(=O)=O)CCN1c1cc(C(F)(F)F)cc2[nH]ncc12
InChIInChI=1S/C15H19ClN4O.C15H21N5O3S.C14H17ClN4O.C14H17F3N4O2S/c1-19(2)15(21)10-4-3-5-20(9-10)14-7-11(16)6-13-12(14)8-17-18-13;1-11(21)18(2)12-8-14-13(10-16-17-14)15(9-12)19-4-6-20(7-5-19)24(3,22)23;1-16-14(20)9-3-2-4-19(8-9)13-6-10(15)5-12-11(13)7-17-18-12;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/h6-8,10H,3-5,9H2,1-2H3,(H,17,18);8-10H,4-7H2,1-3H3,(H,16,17);5-7,9H,2-4,8H2,1H3,(H,16,20)(H,17,18);5-7,9H,3-4,8H2,1-2H3,(H,18,19)/t;;;9-/m...0/s1
InChIKeyLWYYSLRVRYZNQV-RWYKCJGHSA-N
XLogP7.38
TPSA272.16 Ų
H-Bond Donors5
H-Bond Acceptors15
Rotatable Bonds9
Heavy Atoms89
Complexity

Lipinski Rule of Five

3 violations

RuleValue
MW ≤ 5001313.38
LogP ≤ 57.38
H-Bond Donors ≤ 55
H-Bond Acceptors ≤ 1015

Analyze 1-(6-chloro-1H-indazol-4-yl)-N,N-dimethylpiperidine-3-carboxamide;1-(6-chloro-1H-indazol-4-yl)-N-methylpiperidine-3-carboxamide;N-methyl-N-[4-(4-methylsulfonylpiperazin-1-yl)-1H-indazol-6-yl]acetamide;4-[(2S)-2-methyl-4-methylsulfonylpiperazin-1-yl]-6-(trifluoromethyl)-1H-indazole with MolForge

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Frequently Asked Questions

What is the IUPAC name of 1-(6-chloro-1H-indazol-4-yl)-N,N-dimethylpiperidine-3-carboxamide;1-(6-chloro-1H-indazol-4-yl)-N-methylpiperidine-3-carboxamide;N-methyl-N-[4-(4-methylsulfonylpiperazin-1-yl)-1H-indazol-6-yl]acetamide;4-[(2S)-2-methyl-4-methylsulfonylpiperazin-1-yl]-6-(trifluoromethyl)-1H-indazole?
The IUPAC name of 1-(6-chloro-1H-indazol-4-yl)-N,N-dimethylpiperidine-3-carboxamide;1-(6-chloro-1H-indazol-4-yl)-N-methylpiperidine-3-carboxamide;N-methyl-N-[4-(4-methylsulfonylpiperazin-1-yl)-1H-indazol-6-yl]acetamide;4-[(2S)-2-methyl-4-methylsulfonylpiperazin-1-yl]-6-(trifluoromethyl)-1H-indazole (CID 159480763) is 1-(6-chloro-1H-indazol-4-yl)-N,N-dimethylpiperidine-3-carboxamide;1-(6-chloro-1H-indazol-4-yl)-N-methylpiperidine-3-carboxamide;N-methyl-N-[4-(4-methylsulfonylpiperazin-1-yl)-1H-indazol-6-yl]acetamide;4-[(2S)-2-methyl-4-methylsulfonylpiperazin-1-yl]-6-(trifluoromethyl)-1H-indazole.
What is the SMILES notation for 1-(6-chloro-1H-indazol-4-yl)-N,N-dimethylpiperidine-3-carboxamide;1-(6-chloro-1H-indazol-4-yl)-N-methylpiperidine-3-carboxamide;N-methyl-N-[4-(4-methylsulfonylpiperazin-1-yl)-1H-indazol-6-yl]acetamide;4-[(2S)-2-methyl-4-methylsulfonylpiperazin-1-yl]-6-(trifluoromethyl)-1H-indazole?
The canonical SMILES for 1-(6-chloro-1H-indazol-4-yl)-N,N-dimethylpiperidine-3-carboxamide;1-(6-chloro-1H-indazol-4-yl)-N-methylpiperidine-3-carboxamide;N-methyl-N-[4-(4-methylsulfonylpiperazin-1-yl)-1H-indazol-6-yl]acetamide;4-[(2S)-2-methyl-4-methylsulfonylpiperazin-1-yl]-6-(trifluoromethyl)-1H-indazole is CC(=O)N(C)c1cc(N2CCN(S(C)(=O)=O)CC2)c2cn[nH]c2c1.CN(C)C(=O)C1CCCN(c2cc(Cl)cc3[nH]ncc23)C1.CNC(=O)C1CCCN(c2cc(Cl)cc3[nH]ncc23)C1.C[C@H]1CN(S(C)(=O)=O)CCN1c1cc(C(F)(F)F)cc2[nH]ncc12.
What is the InChIKey of 1-(6-chloro-1H-indazol-4-yl)-N,N-dimethylpiperidine-3-carboxamide;1-(6-chloro-1H-indazol-4-yl)-N-methylpiperidine-3-carboxamide;N-methyl-N-[4-(4-methylsulfonylpiperazin-1-yl)-1H-indazol-6-yl]acetamide;4-[(2S)-2-methyl-4-methylsulfonylpiperazin-1-yl]-6-(trifluoromethyl)-1H-indazole?
The InChIKey is LWYYSLRVRYZNQV-RWYKCJGHSA-N. The full InChI is InChI=1S/C15H19ClN4O.C15H21N5O3S.C14H17ClN4O.C14H17F3N4O2S/c1-19(2)15(21)10-4-3-5-20(9-10)14-7-11(16)6-13-12(14)8-17-18-13;1-11(21)18(2)12-8-14-13(10-16-17-14)15(9-12)19-4-6-20(7-5-19)24(3,22)23;1-16-14(20)9-3-2-4-19(8-9)13-6-10(15)5-12-11(13)7-17-18-12;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/h6-8,10H,3-5,9H2,1-2H3,(H,17,18);8-10H,4-7H2,1-3H3,(H,16,17);5-7,9H,2-4,8H2,1H3,(H,16,20)(H,17,18);5-7,9H,3-4,8H2,1-2H3,(H,18,19)/t;;;9-/m...0/s1.
What are the key properties of 1-(6-chloro-1H-indazol-4-yl)-N,N-dimethylpiperidine-3-carboxamide;1-(6-chloro-1H-indazol-4-yl)-N-methylpiperidine-3-carboxamide;N-methyl-N-[4-(4-methylsulfonylpiperazin-1-yl)-1H-indazol-6-yl]acetamide;4-[(2S)-2-methyl-4-methylsulfonylpiperazin-1-yl]-6-(trifluoromethyl)-1H-indazole?
1-(6-chloro-1H-indazol-4-yl)-N,N-dimethylpiperidine-3-carboxamide;1-(6-chloro-1H-indazol-4-yl)-N-methylpiperidine-3-carboxamide;N-methyl-N-[4-(4-methylsulfonylpiperazin-1-yl)-1H-indazol-6-yl]acetamide;4-[(2S)-2-methyl-4-methylsulfonylpiperazin-1-yl]-6-(trifluoromethyl)-1H-indazole has a molecular weight of 1313.38 g/mol, XLogP of 7.38, 9 rotatable bonds, 5 hydrogen bond donors, and 15 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(6-chloro-1H-indazol-4-yl)-N,N-dimethylpiperidine-3-carboxamide;1-(6-chloro-1H-indazol-4-yl)-N-methylpiperidine-3-carboxamide;N-methyl-N-[4-(4-methylsulfonylpiperazin-1-yl)-1H-indazol-6-yl]acetamide;4-[(2S)-2-methyl-4-methylsulfonylpiperazin-1-yl]-6-(trifluoromethyl)-1H-indazole is sourced from PubChem (CID 159480763), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).