1-(6-chloro-1H-indazol-4-yl)-N,N-dimethylpyrrolidine-3-carboxamide;4-[1-(6-chloro-1H-indazol-4-yl)piperidin-4-yl]butan-2-one;8-(6-chloro-1H-indazol-4-yl)-1,3,8-triazaspiro[4.5]decan-2-one;1-[4-[6-(trifluoromethoxy)-1H-indazol-4-yl]piperidin-1-yl]ethanone

C59H69Cl3F3N15O5 — CID 160776329

About 1-(6-chloro-1H-indazol-4-yl)-N,N-dimethylpyrrolidine-3-carboxamide;4-[1-(6-chloro-1H-indazol-4-yl)piperidin-4-yl]butan-2-one;8-(6-chloro-1H-indazol-4-yl)-1,3,8-triazaspiro[4.5]decan-2-one;1-[4-[6-(trifluoromethoxy)-1H-indazol-4-yl]piperidin-1-yl]ethanone

1-(6-chloro-1H-indazol-4-yl)-N,N-dimethylpyrrolidine-3-carboxamide;4-[1-(6-chloro-1H-indazol-4-yl)piperidin-4-yl]butan-2-one;8-(6-chloro-1H-indazol-4-yl)-1,3,8-triazaspiro[4.5]decan-2-one;1-[4-[6-(trifluoromethoxy)-1H-indazol-4-yl]piperidin-1-yl]ethanone (PubChem CID 160776329) has the molecular formula C59H69Cl3F3N15O5 and a molecular weight of 1231.65 g/mol. Its IUPAC name is 1-(6-chloro-1H-indazol-4-yl)-N,N-dimethylpyrrolidine-3-carboxamide;4-[1-(6-chloro-1H-indazol-4-yl)piperidin-4-yl]butan-2-one;8-(6-chloro-1H-indazol-4-yl)-1,3,8-triazaspiro[4.5]decan-2-one;1-[4-[6-(trifluoromethoxy)-1H-indazol-4-yl]piperidin-1-yl]ethanone.

Molecular Properties

• Compound Name: 1-(6-chloro-1H-indazol-4-yl)-N,N-dimethylpyrrolidine-3-carboxamide;4-[1-(6-chloro-1H-indazol-4-yl)piperidin-4-yl]butan-2-one;8-(6-chloro-1H-indazol-4-yl)-1,3,8-triazaspiro[4.5]decan-2-one;1-[4-[6-(trifluoromethoxy)-1H-indazol-4-yl]piperidin-1-yl]ethanone
• PubChem CID: 160776329
• Molecular Formula: C59H69Cl3F3N15O5
• Molecular Weight: 1231.65 g/mol
• Exact Mass: 1229.46
• IUPAC Name: 1-(6-chloro-1H-indazol-4-yl)-N,N-dimethylpyrrolidine-3-carboxamide;4-[1-(6-chloro-1H-indazol-4-yl)piperidin-4-yl]butan-2-one;8-(6-chloro-1H-indazol-4-yl)-1,3,8-triazaspiro[4.5]decan-2-one;1-[4-[6-(trifluoromethoxy)-1H-indazol-4-yl]piperidin-1-yl]ethanone
• SMILES: CC(=O)CCC1CCN(c2cc(Cl)cc3[nH]ncc23)CC1.CC(=O)N1CCC(c2cc(OC(F)(F)F)cc3[nH]ncc23)CC1.CN(C)C(=O)C1CCN(c2cc(Cl)cc3[nH]ncc23)C1.O=C1NCC2(CCN(c3cc(Cl)cc4[nH]ncc34)CC2)N1
• InChI: InChI=1S/C16H20ClN3O.C15H16F3N3O2.C14H16ClN5O.C14H17ClN4O/c1-11(21)2-3-12-4-6-20(7-5-12)16-9-13(17)8-15-14(16)10-18-19-15;1-9(22)21-4-2-10(3-5-21)12-6-11(23-15(16,17)18)7-14-13(12)8-19-20-14;15-9-5-11-10(7-17-19-11)12(6-9)20-3-1-14(2-4-20)8-16-13(21)18-14;1-18(2)14(20)9-3-4-19(8-9)13-6-10(15)5-12-11(13)7-16-17-12/h8-10,12H,2-7H2,1H3,(H,18,19);6-8,10H,2-5H2,1H3,(H,19,20);5-7H,1-4,8H2,(H,17,19)(H2,16,18,21);5-7,9H,3-4,8H2,1-2H3,(H,16,17)
• InChIKey: RZZLTPRFBJNLLV-UHFFFAOYSA-N
• XLogP: 10.99
• TPSA: 232.49 Ų
• H-Bond Donors: 6
• H-Bond Acceptors: 12
• Rotatable Bonds: 9
• Heavy Atoms: 85
• Complexity: —

Lipinski Rule of Five

4 violations

Rule	Value
MW ≤ 500	1231.65
LogP ≤ 5	10.99
H-Bond Donors ≤ 5	6
H-Bond Acceptors ≤ 10	12

Frequently Asked Questions

What is the IUPAC name of 1-(6-chloro-1H-indazol-4-yl)-N,N-dimethylpyrrolidine-3-carboxamide;4-[1-(6-chloro-1H-indazol-4-yl)piperidin-4-yl]butan-2-one;8-(6-chloro-1H-indazol-4-yl)-1,3,8-triazaspiro[4.5]decan-2-one;1-[4-[6-(trifluoromethoxy)-1H-indazol-4-yl]piperidin-1-yl]ethanone?

The IUPAC name of 1-(6-chloro-1H-indazol-4-yl)-N,N-dimethylpyrrolidine-3-carboxamide;4-[1-(6-chloro-1H-indazol-4-yl)piperidin-4-yl]butan-2-one;8-(6-chloro-1H-indazol-4-yl)-1,3,8-triazaspiro[4.5]decan-2-one;1-[4-[6-(trifluoromethoxy)-1H-indazol-4-yl]piperidin-1-yl]ethanone (CID 160776329) is 1-(6-chloro-1H-indazol-4-yl)-N,N-dimethylpyrrolidine-3-carboxamide;4-[1-(6-chloro-1H-indazol-4-yl)piperidin-4-yl]butan-2-one;8-(6-chloro-1H-indazol-4-yl)-1,3,8-triazaspiro[4.5]decan-2-one;1-[4-[6-(trifluoromethoxy)-1H-indazol-4-yl]piperidin-1-yl]ethanone.

What is the SMILES notation for 1-(6-chloro-1H-indazol-4-yl)-N,N-dimethylpyrrolidine-3-carboxamide;4-[1-(6-chloro-1H-indazol-4-yl)piperidin-4-yl]butan-2-one;8-(6-chloro-1H-indazol-4-yl)-1,3,8-triazaspiro[4.5]decan-2-one;1-[4-[6-(trifluoromethoxy)-1H-indazol-4-yl]piperidin-1-yl]ethanone?

The canonical SMILES for 1-(6-chloro-1H-indazol-4-yl)-N,N-dimethylpyrrolidine-3-carboxamide;4-[1-(6-chloro-1H-indazol-4-yl)piperidin-4-yl]butan-2-one;8-(6-chloro-1H-indazol-4-yl)-1,3,8-triazaspiro[4.5]decan-2-one;1-[4-[6-(trifluoromethoxy)-1H-indazol-4-yl]piperidin-1-yl]ethanone is CC(=O)CCC1CCN(c2cc(Cl)cc3[nH]ncc23)CC1.CC(=O)N1CCC(c2cc(OC(F)(F)F)cc3[nH]ncc23)CC1.CN(C)C(=O)C1CCN(c2cc(Cl)cc3[nH]ncc23)C1.O=C1NCC2(CCN(c3cc(Cl)cc4[nH]ncc34)CC2)N1.

What is the InChIKey of 1-(6-chloro-1H-indazol-4-yl)-N,N-dimethylpyrrolidine-3-carboxamide;4-[1-(6-chloro-1H-indazol-4-yl)piperidin-4-yl]butan-2-one;8-(6-chloro-1H-indazol-4-yl)-1,3,8-triazaspiro[4.5]decan-2-one;1-[4-[6-(trifluoromethoxy)-1H-indazol-4-yl]piperidin-1-yl]ethanone?

The InChIKey is RZZLTPRFBJNLLV-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H20ClN3O.C15H16F3N3O2.C14H16ClN5O.C14H17ClN4O/c1-11(21)2-3-12-4-6-20(7-5-12)16-9-13(17)8-15-14(16)10-18-19-15;1-9(22)21-4-2-10(3-5-21)12-6-11(23-15(16,17)18)7-14-13(12)8-19-20-14;15-9-5-11-10(7-17-19-11)12(6-9)20-3-1-14(2-4-20)8-16-13(21)18-14;1-18(2)14(20)9-3-4-19(8-9)13-6-10(15)5-12-11(13)7-16-17-12/h8-10,12H,2-7H2,1H3,(H,18,19);6-8,10H,2-5H2,1H3,(H,19,20);5-7H,1-4,8H2,(H,17,19)(H2,16,18,21);5-7,9H,3-4,8H2,1-2H3,(H,16,17).

What are the key properties of 1-(6-chloro-1H-indazol-4-yl)-N,N-dimethylpyrrolidine-3-carboxamide;4-[1-(6-chloro-1H-indazol-4-yl)piperidin-4-yl]butan-2-one;8-(6-chloro-1H-indazol-4-yl)-1,3,8-triazaspiro[4.5]decan-2-one;1-[4-[6-(trifluoromethoxy)-1H-indazol-4-yl]piperidin-1-yl]ethanone?

1-(6-chloro-1H-indazol-4-yl)-N,N-dimethylpyrrolidine-3-carboxamide;4-[1-(6-chloro-1H-indazol-4-yl)piperidin-4-yl]butan-2-one;8-(6-chloro-1H-indazol-4-yl)-1,3,8-triazaspiro[4.5]decan-2-one;1-[4-[6-(trifluoromethoxy)-1H-indazol-4-yl]piperidin-1-yl]ethanone has a molecular weight of 1231.65 g/mol, XLogP of 10.99, 9 rotatable bonds, 6 hydrogen bond donors, and 12 hydrogen bond acceptors.

Where does this data come from?

All data for 1-(6-chloro-1H-indazol-4-yl)-N,N-dimethylpyrrolidine-3-carboxamide;4-[1-(6-chloro-1H-indazol-4-yl)piperidin-4-yl]butan-2-one;8-(6-chloro-1H-indazol-4-yl)-1,3,8-triazaspiro[4.5]decan-2-one;1-[4-[6-(trifluoromethoxy)-1H-indazol-4-yl]piperidin-1-yl]ethanone is sourced from PubChem (CID 160776329), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).