cis-(1S,3R)-3-[2-(azetidin-1-yl)-2-oxoethyl]-N-[4-(7-fluoro-2-methyl-3-propan-2-ylindazol-5-yl)-2-pyridinyl]cyclohexane-1-carboxamide;cis-(1S,3R)-N-[4-(7-fluoro-2-methyl-3-propan-2-ylindazol-5-yl)-5-methyl-2-pyridinyl]-3-(2-oxopent-4-ynyl)cyclohexane-1-carboxamide;cis-(1S,3R)-N-[4-(7-fluoro-2-methyl-3-propan-2-ylindazol-5-yl)-5-methyl-2-pyridinyl]-3-(2-oxo-2-piperidin-1-ylethyl)cyclohexane-1-carboxamide;cis-(1S,3R)-N-[4-(7-fluoro-2-methyl-3-propan-2-ylindazol-5-yl)-2-pyridinyl]-3-(2-oxopentyl)cyclohexane-1-carboxamide

C116H142F4N18O8 — CID 157361695

About cis-(1S,3R)-3-[2-(azetidin-1-yl)-2-oxoethyl]-N-[4-(7-fluoro-2-methyl-3-propan-2-ylindazol-5-yl)-2-pyridinyl]cyclohexane-1-carboxamide;cis-(1S,3R)-N-[4-(7-fluoro-2-methyl-3-propan-2-ylindazol-5-yl)-5-methyl-2-pyridinyl]-3-(2-oxopent-4-ynyl)cyclohexane-1-carboxamide;cis-(1S,3R)-N-[4-(7-fluoro-2-methyl-3-propan-2-ylindazol-5-yl)-5-methyl-2-pyridinyl]-3-(2-oxo-2-piperidin-1-ylethyl)cyclohexane-1-carboxamide;cis-(1S,3R)-N-[4-(7-fluoro-2-methyl-3-propan-2-ylindazol-5-yl)-2-pyridinyl]-3-(2-oxopentyl)cyclohexane-1-carboxamide

cis-(1S,3R)-3-[2-(azetidin-1-yl)-2-oxoethyl]-N-[4-(7-fluoro-2-methyl-3-propan-2-ylindazol-5-yl)-2-pyridinyl]cyclohexane-1-carboxamide;cis-(1S,3R)-N-[4-(7-fluoro-2-methyl-3-propan-2-ylindazol-5-yl)-5-methyl-2-pyridinyl]-3-(2-oxopent-4-ynyl)cyclohexane-1-carboxamide;cis-(1S,3R)-N-[4-(7-fluoro-2-methyl-3-propan-2-ylindazol-5-yl)-5-methyl-2-pyridinyl]-3-(2-oxo-2-piperidin-1-ylethyl)cyclohexane-1-carboxamide;cis-(1S,3R)-N-[4-(7-fluoro-2-methyl-3-propan-2-ylindazol-5-yl)-2-pyridinyl]-3-(2-oxopentyl)cyclohexane-1-carboxamide (PubChem CID 157361695) has the molecular formula C116H142F4N18O8 and a molecular weight of 1992.52 g/mol. Its IUPAC name is cis-(1S,3R)-3-[2-(azetidin-1-yl)-2-oxoethyl]-N-[4-(7-fluoro-2-methyl-3-propan-2-ylindazol-5-yl)-2-pyridinyl]cyclohexane-1-carboxamide;cis-(1S,3R)-N-[4-(7-fluoro-2-methyl-3-propan-2-ylindazol-5-yl)-5-methyl-2-pyridinyl]-3-(2-oxopent-4-ynyl)cyclohexane-1-carboxamide;cis-(1S,3R)-N-[4-(7-fluoro-2-methyl-3-propan-2-ylindazol-5-yl)-5-methyl-2-pyridinyl]-3-(2-oxo-2-piperidin-1-ylethyl)cyclohexane-1-carboxamide;cis-(1S,3R)-N-[4-(7-fluoro-2-methyl-3-propan-2-ylindazol-5-yl)-2-pyridinyl]-3-(2-oxopentyl)cyclohexane-1-carboxamide.

Molecular Properties

• Compound Name: cis-(1S,3R)-3-[2-(azetidin-1-yl)-2-oxoethyl]-N-[4-(7-fluoro-2-methyl-3-propan-2-ylindazol-5-yl)-2-pyridinyl]cyclohexane-1-carboxamide;cis-(1S,3R)-N-[4-(7-fluoro-2-methyl-3-propan-2-ylindazol-5-yl)-5-methyl-2-pyridinyl]-3-(2-oxopent-4-ynyl)cyclohexane-1-carboxamide;cis-(1S,3R)-N-[4-(7-fluoro-2-methyl-3-propan-2-ylindazol-5-yl)-5-methyl-2-pyridinyl]-3-(2-oxo-2-piperidin-1-ylethyl)cyclohexane-1-carboxamide;cis-(1S,3R)-N-[4-(7-fluoro-2-methyl-3-propan-2-ylindazol-5-yl)-2-pyridinyl]-3-(2-oxopentyl)cyclohexane-1-carboxamide
• PubChem CID: 157361695
• Molecular Formula: C116H142F4N18O8
• Molecular Weight: 1992.52 g/mol
• Exact Mass: 1991.12
• IUPAC Name: cis-(1S,3R)-3-[2-(azetidin-1-yl)-2-oxoethyl]-N-[4-(7-fluoro-2-methyl-3-propan-2-ylindazol-5-yl)-2-pyridinyl]cyclohexane-1-carboxamide;cis-(1S,3R)-N-[4-(7-fluoro-2-methyl-3-propan-2-ylindazol-5-yl)-5-methyl-2-pyridinyl]-3-(2-oxopent-4-ynyl)cyclohexane-1-carboxamide;cis-(1S,3R)-N-[4-(7-fluoro-2-methyl-3-propan-2-ylindazol-5-yl)-5-methyl-2-pyridinyl]-3-(2-oxo-2-piperidin-1-ylethyl)cyclohexane-1-carboxamide;cis-(1S,3R)-N-[4-(7-fluoro-2-methyl-3-propan-2-ylindazol-5-yl)-2-pyridinyl]-3-(2-oxopentyl)cyclohexane-1-carboxamide
• SMILES: C#CCC(=O)C[C@@H]1CCC[C@H](C(=O)Nc2cc(-c3cc(F)c4nn(C)c(C(C)C)c4c3)c(C)cn2)C1.CC(C)c1c2cc(-c3ccnc(NC(=O)[C@H]4CCC[C@@H](CC(=O)N5CCC5)C4)c3)cc(F)c2nn1C.CCCC(=O)C[C@@H]1CCC[C@H](C(=O)Nc2cc(-c3cc(F)c4nn(C)c(C(C)C)c4c3)ccn2)C1.Cc1cnc(NC(=O)[C@H]2CCC[C@@H](CC(=O)N3CCCCC3)C2)cc1-c1cc(F)c2nn(C)c(C(C)C)c2c1
• InChI: InChI=1S/C31H40FN5O2.C29H33FN4O2.C28H34FN5O2.C28H35FN4O2/c1-19(2)30-25-15-23(16-26(32)29(25)35-36(30)4)24-17-27(33-18-20(24)3)34-31(39)22-10-8-9-21(13-22)14-28(38)37-11-6-5-7-12-37;1-6-8-22(35)12-19-9-7-10-20(11-19)29(36)32-26-15-23(18(4)16-31-26)21-13-24-27(25(30)14-21)33-34(5)28(24)17(2)3;1-17(2)27-22-14-21(15-23(29)26(22)32-33(27)3)19-8-9-30-24(16-19)31-28(36)20-7-4-6-18(12-20)13-25(35)34-10-5-11-34;1-5-7-22(34)13-18-8-6-9-20(12-18)28(35)31-25-16-19(10-11-30-25)21-14-23-26(24(29)15-21)32-33(4)27(23)17(2)3/h15-19,21-22H,5-14H2,1-4H3,(H,33,34,39);1,13-17,19-20H,7-12H2,2-5H3,(H,31,32,36);8-9,14-18,20H,4-7,10-13H2,1-3H3,(H,30,31,36);10-11,14-18,20H,5-9,12-13H2,1-4H3,(H,30,31,35)/t21-,22+;19-,20+;2*18-,20+/m1111/s1
• InChIKey: BISDDBSXKCKOIV-AXFDHMITSA-N
• XLogP: 23.95
• TPSA: 314.00 Ų
• H-Bond Donors: 4
• H-Bond Acceptors: 20
• Rotatable Bonds: 27
• Heavy Atoms: 146
• Complexity: —

Lipinski Rule of Five

3 violations

Rule	Value
MW ≤ 500	1992.52
LogP ≤ 5	23.95
H-Bond Donors ≤ 5	4
H-Bond Acceptors ≤ 10	20

Computed Properties (RDKit)

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

Frequently Asked Questions

What is the IUPAC name of cis-(1S,3R)-3-[2-(azetidin-1-yl)-2-oxoethyl]-N-[4-(7-fluoro-2-methyl-3-propan-2-ylindazol-5-yl)-2-pyridinyl]cyclohexane-1-carboxamide;cis-(1S,3R)-N-[4-(7-fluoro-2-methyl-3-propan-2-ylindazol-5-yl)-5-methyl-2-pyridinyl]-3-(2-oxopent-4-ynyl)cyclohexane-1-carboxamide;cis-(1S,3R)-N-[4-(7-fluoro-2-methyl-3-propan-2-ylindazol-5-yl)-5-methyl-2-pyridinyl]-3-(2-oxo-2-piperidin-1-ylethyl)cyclohexane-1-carboxamide;cis-(1S,3R)-N-[4-(7-fluoro-2-methyl-3-propan-2-ylindazol-5-yl)-2-pyridinyl]-3-(2-oxopentyl)cyclohexane-1-carboxamide?

The IUPAC name of cis-(1S,3R)-3-[2-(azetidin-1-yl)-2-oxoethyl]-N-[4-(7-fluoro-2-methyl-3-propan-2-ylindazol-5-yl)-2-pyridinyl]cyclohexane-1-carboxamide;cis-(1S,3R)-N-[4-(7-fluoro-2-methyl-3-propan-2-ylindazol-5-yl)-5-methyl-2-pyridinyl]-3-(2-oxopent-4-ynyl)cyclohexane-1-carboxamide;cis-(1S,3R)-N-[4-(7-fluoro-2-methyl-3-propan-2-ylindazol-5-yl)-5-methyl-2-pyridinyl]-3-(2-oxo-2-piperidin-1-ylethyl)cyclohexane-1-carboxamide;cis-(1S,3R)-N-[4-(7-fluoro-2-methyl-3-propan-2-ylindazol-5-yl)-2-pyridinyl]-3-(2-oxopentyl)cyclohexane-1-carboxamide (CID 157361695) is cis-(1S,3R)-3-[2-(azetidin-1-yl)-2-oxoethyl]-N-[4-(7-fluoro-2-methyl-3-propan-2-ylindazol-5-yl)-2-pyridinyl]cyclohexane-1-carboxamide;cis-(1S,3R)-N-[4-(7-fluoro-2-methyl-3-propan-2-ylindazol-5-yl)-5-methyl-2-pyridinyl]-3-(2-oxopent-4-ynyl)cyclohexane-1-carboxamide;cis-(1S,3R)-N-[4-(7-fluoro-2-methyl-3-propan-2-ylindazol-5-yl)-5-methyl-2-pyridinyl]-3-(2-oxo-2-piperidin-1-ylethyl)cyclohexane-1-carboxamide;cis-(1S,3R)-N-[4-(7-fluoro-2-methyl-3-propan-2-ylindazol-5-yl)-2-pyridinyl]-3-(2-oxopentyl)cyclohexane-1-carboxamide.

What is the SMILES notation for cis-(1S,3R)-3-[2-(azetidin-1-yl)-2-oxoethyl]-N-[4-(7-fluoro-2-methyl-3-propan-2-ylindazol-5-yl)-2-pyridinyl]cyclohexane-1-carboxamide;cis-(1S,3R)-N-[4-(7-fluoro-2-methyl-3-propan-2-ylindazol-5-yl)-5-methyl-2-pyridinyl]-3-(2-oxopent-4-ynyl)cyclohexane-1-carboxamide;cis-(1S,3R)-N-[4-(7-fluoro-2-methyl-3-propan-2-ylindazol-5-yl)-5-methyl-2-pyridinyl]-3-(2-oxo-2-piperidin-1-ylethyl)cyclohexane-1-carboxamide;cis-(1S,3R)-N-[4-(7-fluoro-2-methyl-3-propan-2-ylindazol-5-yl)-2-pyridinyl]-3-(2-oxopentyl)cyclohexane-1-carboxamide?

The canonical SMILES for cis-(1S,3R)-3-[2-(azetidin-1-yl)-2-oxoethyl]-N-[4-(7-fluoro-2-methyl-3-propan-2-ylindazol-5-yl)-2-pyridinyl]cyclohexane-1-carboxamide;cis-(1S,3R)-N-[4-(7-fluoro-2-methyl-3-propan-2-ylindazol-5-yl)-5-methyl-2-pyridinyl]-3-(2-oxopent-4-ynyl)cyclohexane-1-carboxamide;cis-(1S,3R)-N-[4-(7-fluoro-2-methyl-3-propan-2-ylindazol-5-yl)-5-methyl-2-pyridinyl]-3-(2-oxo-2-piperidin-1-ylethyl)cyclohexane-1-carboxamide;cis-(1S,3R)-N-[4-(7-fluoro-2-methyl-3-propan-2-ylindazol-5-yl)-2-pyridinyl]-3-(2-oxopentyl)cyclohexane-1-carboxamide is C#CCC(=O)C[C@@H]1CCC[C@H](C(=O)Nc2cc(-c3cc(F)c4nn(C)c(C(C)C)c4c3)c(C)cn2)C1.CC(C)c1c2cc(-c3ccnc(NC(=O)[C@H]4CCC[C@@H](CC(=O)N5CCC5)C4)c3)cc(F)c2nn1C.CCCC(=O)C[C@@H]1CCC[C@H](C(=O)Nc2cc(-c3cc(F)c4nn(C)c(C(C)C)c4c3)ccn2)C1.Cc1cnc(NC(=O)[C@H]2CCC[C@@H](CC(=O)N3CCCCC3)C2)cc1-c1cc(F)c2nn(C)c(C(C)C)c2c1.

What is the InChIKey of cis-(1S,3R)-3-[2-(azetidin-1-yl)-2-oxoethyl]-N-[4-(7-fluoro-2-methyl-3-propan-2-ylindazol-5-yl)-2-pyridinyl]cyclohexane-1-carboxamide;cis-(1S,3R)-N-[4-(7-fluoro-2-methyl-3-propan-2-ylindazol-5-yl)-5-methyl-2-pyridinyl]-3-(2-oxopent-4-ynyl)cyclohexane-1-carboxamide;cis-(1S,3R)-N-[4-(7-fluoro-2-methyl-3-propan-2-ylindazol-5-yl)-5-methyl-2-pyridinyl]-3-(2-oxo-2-piperidin-1-ylethyl)cyclohexane-1-carboxamide;cis-(1S,3R)-N-[4-(7-fluoro-2-methyl-3-propan-2-ylindazol-5-yl)-2-pyridinyl]-3-(2-oxopentyl)cyclohexane-1-carboxamide?

The InChIKey is BISDDBSXKCKOIV-AXFDHMITSA-N. The full InChI is InChI=1S/C31H40FN5O2.C29H33FN4O2.C28H34FN5O2.C28H35FN4O2/c1-19(2)30-25-15-23(16-26(32)29(25)35-36(30)4)24-17-27(33-18-20(24)3)34-31(39)22-10-8-9-21(13-22)14-28(38)37-11-6-5-7-12-37;1-6-8-22(35)12-19-9-7-10-20(11-19)29(36)32-26-15-23(18(4)16-31-26)21-13-24-27(25(30)14-21)33-34(5)28(24)17(2)3;1-17(2)27-22-14-21(15-23(29)26(22)32-33(27)3)19-8-9-30-24(16-19)31-28(36)20-7-4-6-18(12-20)13-25(35)34-10-5-11-34;1-5-7-22(34)13-18-8-6-9-20(12-18)28(35)31-25-16-19(10-11-30-25)21-14-23-26(24(29)15-21)32-33(4)27(23)17(2)3/h15-19,21-22H,5-14H2,1-4H3,(H,33,34,39);1,13-17,19-20H,7-12H2,2-5H3,(H,31,32,36);8-9,14-18,20H,4-7,10-13H2,1-3H3,(H,30,31,36);10-11,14-18,20H,5-9,12-13H2,1-4H3,(H,30,31,35)/t21-,22+;19-,20+;2*18-,20+/m1111/s1.

What are the key properties of cis-(1S,3R)-3-[2-(azetidin-1-yl)-2-oxoethyl]-N-[4-(7-fluoro-2-methyl-3-propan-2-ylindazol-5-yl)-2-pyridinyl]cyclohexane-1-carboxamide;cis-(1S,3R)-N-[4-(7-fluoro-2-methyl-3-propan-2-ylindazol-5-yl)-5-methyl-2-pyridinyl]-3-(2-oxopent-4-ynyl)cyclohexane-1-carboxamide;cis-(1S,3R)-N-[4-(7-fluoro-2-methyl-3-propan-2-ylindazol-5-yl)-5-methyl-2-pyridinyl]-3-(2-oxo-2-piperidin-1-ylethyl)cyclohexane-1-carboxamide;cis-(1S,3R)-N-[4-(7-fluoro-2-methyl-3-propan-2-ylindazol-5-yl)-2-pyridinyl]-3-(2-oxopentyl)cyclohexane-1-carboxamide?

cis-(1S,3R)-3-[2-(azetidin-1-yl)-2-oxoethyl]-N-[4-(7-fluoro-2-methyl-3-propan-2-ylindazol-5-yl)-2-pyridinyl]cyclohexane-1-carboxamide;cis-(1S,3R)-N-[4-(7-fluoro-2-methyl-3-propan-2-ylindazol-5-yl)-5-methyl-2-pyridinyl]-3-(2-oxopent-4-ynyl)cyclohexane-1-carboxamide;cis-(1S,3R)-N-[4-(7-fluoro-2-methyl-3-propan-2-ylindazol-5-yl)-5-methyl-2-pyridinyl]-3-(2-oxo-2-piperidin-1-ylethyl)cyclohexane-1-carboxamide;cis-(1S,3R)-N-[4-(7-fluoro-2-methyl-3-propan-2-ylindazol-5-yl)-2-pyridinyl]-3-(2-oxopentyl)cyclohexane-1-carboxamide has a molecular weight of 1992.52 g/mol, XLogP of 23.95, 27 rotatable bonds, 4 hydrogen bond donors, and 20 hydrogen bond acceptors.

Where does this data come from?

All data for cis-(1S,3R)-3-[2-(azetidin-1-yl)-2-oxoethyl]-N-[4-(7-fluoro-2-methyl-3-propan-2-ylindazol-5-yl)-2-pyridinyl]cyclohexane-1-carboxamide;cis-(1S,3R)-N-[4-(7-fluoro-2-methyl-3-propan-2-ylindazol-5-yl)-5-methyl-2-pyridinyl]-3-(2-oxopent-4-ynyl)cyclohexane-1-carboxamide;cis-(1S,3R)-N-[4-(7-fluoro-2-methyl-3-propan-2-ylindazol-5-yl)-5-methyl-2-pyridinyl]-3-(2-oxo-2-piperidin-1-ylethyl)cyclohexane-1-carboxamide;cis-(1S,3R)-N-[4-(7-fluoro-2-methyl-3-propan-2-ylindazol-5-yl)-2-pyridinyl]-3-(2-oxopentyl)cyclohexane-1-carboxamide is sourced from PubChem (CID 157361695), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).