cis-(1S,3R)-N-[5-chloro-4-(7-fluoro-2-methyl-3-propan-2-ylindazol-5-yl)-2-pyridinyl]-3-[2-(4-methylpiperazin-1-yl)-2-oxoethyl]cyclohexane-1-carboxamide;cis-(1S,3R)-N-[5-chloro-4-(7-fluoro-2-methyl-3-propan-2-ylindazol-5-yl)-2-pyridinyl]-3-(methylsulfonylmethyl)cyclohexane-1-carboxamide;cis-(1S,3R)-N-[5-chloro-4-(7-fluoro-2-methyl-3-propan-2-ylindazol-5-yl)-2-pyridinyl]-3-(2-oxobutyl)cyclohexane-1-carboxamide;cis-(1S,3R)-N-[5-chloro-4-(7-fluoro-2-methyl-3-propan-2-ylindazol-5-yl)-2-pyridinyl]-3-(2-oxo-2-piperidin-1-ylethyl)cyclohexane-1-carboxamide

C112H137Cl4F4N19O9S — CID 158414599

About cis-(1S,3R)-N-[5-chloro-4-(7-fluoro-2-methyl-3-propan-2-ylindazol-5-yl)-2-pyridinyl]-3-[2-(4-methylpiperazin-1-yl)-2-oxoethyl]cyclohexane-1-carboxamide;cis-(1S,3R)-N-[5-chloro-4-(7-fluoro-2-methyl-3-propan-2-ylindazol-5-yl)-2-pyridinyl]-3-(methylsulfonylmethyl)cyclohexane-1-carboxamide;cis-(1S,3R)-N-[5-chloro-4-(7-fluoro-2-methyl-3-propan-2-ylindazol-5-yl)-2-pyridinyl]-3-(2-oxobutyl)cyclohexane-1-carboxamide;cis-(1S,3R)-N-[5-chloro-4-(7-fluoro-2-methyl-3-propan-2-ylindazol-5-yl)-2-pyridinyl]-3-(2-oxo-2-piperidin-1-ylethyl)cyclohexane-1-carboxamide

cis-(1S,3R)-N-[5-chloro-4-(7-fluoro-2-methyl-3-propan-2-ylindazol-5-yl)-2-pyridinyl]-3-[2-(4-methylpiperazin-1-yl)-2-oxoethyl]cyclohexane-1-carboxamide;cis-(1S,3R)-N-[5-chloro-4-(7-fluoro-2-methyl-3-propan-2-ylindazol-5-yl)-2-pyridinyl]-3-(methylsulfonylmethyl)cyclohexane-1-carboxamide;cis-(1S,3R)-N-[5-chloro-4-(7-fluoro-2-methyl-3-propan-2-ylindazol-5-yl)-2-pyridinyl]-3-(2-oxobutyl)cyclohexane-1-carboxamide;cis-(1S,3R)-N-[5-chloro-4-(7-fluoro-2-methyl-3-propan-2-ylindazol-5-yl)-2-pyridinyl]-3-(2-oxo-2-piperidin-1-ylethyl)cyclohexane-1-carboxamide (PubChem CID 158414599) has the molecular formula C112H137Cl4F4N19O9S and a molecular weight of 2143.32 g/mol. Its IUPAC name is cis-(1S,3R)-N-[5-chloro-4-(7-fluoro-2-methyl-3-propan-2-ylindazol-5-yl)-2-pyridinyl]-3-[2-(4-methylpiperazin-1-yl)-2-oxoethyl]cyclohexane-1-carboxamide;cis-(1S,3R)-N-[5-chloro-4-(7-fluoro-2-methyl-3-propan-2-ylindazol-5-yl)-2-pyridinyl]-3-(methylsulfonylmethyl)cyclohexane-1-carboxamide;cis-(1S,3R)-N-[5-chloro-4-(7-fluoro-2-methyl-3-propan-2-ylindazol-5-yl)-2-pyridinyl]-3-(2-oxobutyl)cyclohexane-1-carboxamide;cis-(1S,3R)-N-[5-chloro-4-(7-fluoro-2-methyl-3-propan-2-ylindazol-5-yl)-2-pyridinyl]-3-(2-oxo-2-piperidin-1-ylethyl)cyclohexane-1-carboxamide.

Molecular Properties

• Compound Name: cis-(1S,3R)-N-[5-chloro-4-(7-fluoro-2-methyl-3-propan-2-ylindazol-5-yl)-2-pyridinyl]-3-[2-(4-methylpiperazin-1-yl)-2-oxoethyl]cyclohexane-1-carboxamide;cis-(1S,3R)-N-[5-chloro-4-(7-fluoro-2-methyl-3-propan-2-ylindazol-5-yl)-2-pyridinyl]-3-(methylsulfonylmethyl)cyclohexane-1-carboxamide;cis-(1S,3R)-N-[5-chloro-4-(7-fluoro-2-methyl-3-propan-2-ylindazol-5-yl)-2-pyridinyl]-3-(2-oxobutyl)cyclohexane-1-carboxamide;cis-(1S,3R)-N-[5-chloro-4-(7-fluoro-2-methyl-3-propan-2-ylindazol-5-yl)-2-pyridinyl]-3-(2-oxo-2-piperidin-1-ylethyl)cyclohexane-1-carboxamide
• PubChem CID: 158414599
• Molecular Formula: C112H137Cl4F4N19O9S
• Molecular Weight: 2143.32 g/mol
• Exact Mass: 2139.93
• IUPAC Name: cis-(1S,3R)-N-[5-chloro-4-(7-fluoro-2-methyl-3-propan-2-ylindazol-5-yl)-2-pyridinyl]-3-[2-(4-methylpiperazin-1-yl)-2-oxoethyl]cyclohexane-1-carboxamide;cis-(1S,3R)-N-[5-chloro-4-(7-fluoro-2-methyl-3-propan-2-ylindazol-5-yl)-2-pyridinyl]-3-(methylsulfonylmethyl)cyclohexane-1-carboxamide;cis-(1S,3R)-N-[5-chloro-4-(7-fluoro-2-methyl-3-propan-2-ylindazol-5-yl)-2-pyridinyl]-3-(2-oxobutyl)cyclohexane-1-carboxamide;cis-(1S,3R)-N-[5-chloro-4-(7-fluoro-2-methyl-3-propan-2-ylindazol-5-yl)-2-pyridinyl]-3-(2-oxo-2-piperidin-1-ylethyl)cyclohexane-1-carboxamide
• SMILES: CC(C)c1c2cc(-c3cc(NC(=O)[C@H]4CCC[C@@H](CC(=O)N5CCCCC5)C4)ncc3Cl)cc(F)c2nn1C.CC(C)c1c2cc(-c3cc(NC(=O)[C@H]4CCC[C@@H](CC(=O)N5CCN(C)CC5)C4)ncc3Cl)cc(F)c2nn1C.CC(C)c1c2cc(-c3cc(NC(=O)[C@H]4CCC[C@@H](CS(C)(=O)=O)C4)ncc3Cl)cc(F)c2nn1C.CCC(=O)C[C@@H]1CCC[C@H](C(=O)Nc2cc(-c3cc(F)c4nn(C)c(C(C)C)c4c3)c(Cl)cn2)C1
• InChI: InChI=1S/C30H38ClFN6O2.C30H37ClFN5O2.C27H32ClFN4O2.C25H30ClFN4O3S/c1-18(2)29-23-14-21(15-25(32)28(23)35-37(29)4)22-16-26(33-17-24(22)31)34-30(40)20-7-5-6-19(12-20)13-27(39)38-10-8-36(3)9-11-38;1-18(2)29-23-14-21(15-25(32)28(23)35-36(29)3)22-16-26(33-17-24(22)31)34-30(39)20-9-7-8-19(12-20)13-27(38)37-10-5-4-6-11-37;1-5-19(34)10-16-7-6-8-17(9-16)27(35)31-24-13-20(22(28)14-30-24)18-11-21-25(23(29)12-18)32-33(4)26(21)15(2)3;1-14(2)24-19-9-17(10-21(27)23(19)30-31(24)3)18-11-22(28-12-20(18)26)29-25(32)16-7-5-6-15(8-16)13-35(4,33)34/h14-20H,5-13H2,1-4H3,(H,33,34,40);14-20H,4-13H2,1-3H3,(H,33,34,39);11-17H,5-10H2,1-4H3,(H,30,31,35);9-12,14-16H,5-8,13H2,1-4H3,(H,28,29,32)/t2*19-,20+;16-,17+;15-,16+/m1111/s1
• InChIKey: GZSPXGMDNMNOMR-YLQVAYJESA-N
• XLogP: 24.16
• TPSA: 334.31 Ų
• H-Bond Donors: 4
• H-Bond Acceptors: 22
• Rotatable Bonds: 25
• Heavy Atoms: 149
• Complexity: —

Lipinski Rule of Five

3 violations

Rule	Value
MW ≤ 500	2143.32
LogP ≤ 5	24.16
H-Bond Donors ≤ 5	4
H-Bond Acceptors ≤ 10	22

Frequently Asked Questions

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

The IUPAC name of cis-(1S,3R)-N-[5-chloro-4-(7-fluoro-2-methyl-3-propan-2-ylindazol-5-yl)-2-pyridinyl]-3-[2-(4-methylpiperazin-1-yl)-2-oxoethyl]cyclohexane-1-carboxamide;cis-(1S,3R)-N-[5-chloro-4-(7-fluoro-2-methyl-3-propan-2-ylindazol-5-yl)-2-pyridinyl]-3-(methylsulfonylmethyl)cyclohexane-1-carboxamide;cis-(1S,3R)-N-[5-chloro-4-(7-fluoro-2-methyl-3-propan-2-ylindazol-5-yl)-2-pyridinyl]-3-(2-oxobutyl)cyclohexane-1-carboxamide;cis-(1S,3R)-N-[5-chloro-4-(7-fluoro-2-methyl-3-propan-2-ylindazol-5-yl)-2-pyridinyl]-3-(2-oxo-2-piperidin-1-ylethyl)cyclohexane-1-carboxamide (CID 158414599) is cis-(1S,3R)-N-[5-chloro-4-(7-fluoro-2-methyl-3-propan-2-ylindazol-5-yl)-2-pyridinyl]-3-[2-(4-methylpiperazin-1-yl)-2-oxoethyl]cyclohexane-1-carboxamide;cis-(1S,3R)-N-[5-chloro-4-(7-fluoro-2-methyl-3-propan-2-ylindazol-5-yl)-2-pyridinyl]-3-(methylsulfonylmethyl)cyclohexane-1-carboxamide;cis-(1S,3R)-N-[5-chloro-4-(7-fluoro-2-methyl-3-propan-2-ylindazol-5-yl)-2-pyridinyl]-3-(2-oxobutyl)cyclohexane-1-carboxamide;cis-(1S,3R)-N-[5-chloro-4-(7-fluoro-2-methyl-3-propan-2-ylindazol-5-yl)-2-pyridinyl]-3-(2-oxo-2-piperidin-1-ylethyl)cyclohexane-1-carboxamide.

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

The canonical SMILES for cis-(1S,3R)-N-[5-chloro-4-(7-fluoro-2-methyl-3-propan-2-ylindazol-5-yl)-2-pyridinyl]-3-[2-(4-methylpiperazin-1-yl)-2-oxoethyl]cyclohexane-1-carboxamide;cis-(1S,3R)-N-[5-chloro-4-(7-fluoro-2-methyl-3-propan-2-ylindazol-5-yl)-2-pyridinyl]-3-(methylsulfonylmethyl)cyclohexane-1-carboxamide;cis-(1S,3R)-N-[5-chloro-4-(7-fluoro-2-methyl-3-propan-2-ylindazol-5-yl)-2-pyridinyl]-3-(2-oxobutyl)cyclohexane-1-carboxamide;cis-(1S,3R)-N-[5-chloro-4-(7-fluoro-2-methyl-3-propan-2-ylindazol-5-yl)-2-pyridinyl]-3-(2-oxo-2-piperidin-1-ylethyl)cyclohexane-1-carboxamide is CC(C)c1c2cc(-c3cc(NC(=O)[C@H]4CCC[C@@H](CC(=O)N5CCCCC5)C4)ncc3Cl)cc(F)c2nn1C.CC(C)c1c2cc(-c3cc(NC(=O)[C@H]4CCC[C@@H](CC(=O)N5CCN(C)CC5)C4)ncc3Cl)cc(F)c2nn1C.CC(C)c1c2cc(-c3cc(NC(=O)[C@H]4CCC[C@@H](CS(C)(=O)=O)C4)ncc3Cl)cc(F)c2nn1C.CCC(=O)C[C@@H]1CCC[C@H](C(=O)Nc2cc(-c3cc(F)c4nn(C)c(C(C)C)c4c3)c(Cl)cn2)C1.

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

The InChIKey is GZSPXGMDNMNOMR-YLQVAYJESA-N. The full InChI is InChI=1S/C30H38ClFN6O2.C30H37ClFN5O2.C27H32ClFN4O2.C25H30ClFN4O3S/c1-18(2)29-23-14-21(15-25(32)28(23)35-37(29)4)22-16-26(33-17-24(22)31)34-30(40)20-7-5-6-19(12-20)13-27(39)38-10-8-36(3)9-11-38;1-18(2)29-23-14-21(15-25(32)28(23)35-36(29)3)22-16-26(33-17-24(22)31)34-30(39)20-9-7-8-19(12-20)13-27(38)37-10-5-4-6-11-37;1-5-19(34)10-16-7-6-8-17(9-16)27(35)31-24-13-20(22(28)14-30-24)18-11-21-25(23(29)12-18)32-33(4)26(21)15(2)3;1-14(2)24-19-9-17(10-21(27)23(19)30-31(24)3)18-11-22(28-12-20(18)26)29-25(32)16-7-5-6-15(8-16)13-35(4,33)34/h14-20H,5-13H2,1-4H3,(H,33,34,40);14-20H,4-13H2,1-3H3,(H,33,34,39);11-17H,5-10H2,1-4H3,(H,30,31,35);9-12,14-16H,5-8,13H2,1-4H3,(H,28,29,32)/t2*19-,20+;16-,17+;15-,16+/m1111/s1.

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

cis-(1S,3R)-N-[5-chloro-4-(7-fluoro-2-methyl-3-propan-2-ylindazol-5-yl)-2-pyridinyl]-3-[2-(4-methylpiperazin-1-yl)-2-oxoethyl]cyclohexane-1-carboxamide;cis-(1S,3R)-N-[5-chloro-4-(7-fluoro-2-methyl-3-propan-2-ylindazol-5-yl)-2-pyridinyl]-3-(methylsulfonylmethyl)cyclohexane-1-carboxamide;cis-(1S,3R)-N-[5-chloro-4-(7-fluoro-2-methyl-3-propan-2-ylindazol-5-yl)-2-pyridinyl]-3-(2-oxobutyl)cyclohexane-1-carboxamide;cis-(1S,3R)-N-[5-chloro-4-(7-fluoro-2-methyl-3-propan-2-ylindazol-5-yl)-2-pyridinyl]-3-(2-oxo-2-piperidin-1-ylethyl)cyclohexane-1-carboxamide has a molecular weight of 2143.32 g/mol, XLogP of 24.16, 25 rotatable bonds, 4 hydrogen bond donors, and 22 hydrogen bond acceptors.

Where does this data come from?

All data for cis-(1S,3R)-N-[5-chloro-4-(7-fluoro-2-methyl-3-propan-2-ylindazol-5-yl)-2-pyridinyl]-3-[2-(4-methylpiperazin-1-yl)-2-oxoethyl]cyclohexane-1-carboxamide;cis-(1S,3R)-N-[5-chloro-4-(7-fluoro-2-methyl-3-propan-2-ylindazol-5-yl)-2-pyridinyl]-3-(methylsulfonylmethyl)cyclohexane-1-carboxamide;cis-(1S,3R)-N-[5-chloro-4-(7-fluoro-2-methyl-3-propan-2-ylindazol-5-yl)-2-pyridinyl]-3-(2-oxobutyl)cyclohexane-1-carboxamide;cis-(1S,3R)-N-[5-chloro-4-(7-fluoro-2-methyl-3-propan-2-ylindazol-5-yl)-2-pyridinyl]-3-(2-oxo-2-piperidin-1-ylethyl)cyclohexane-1-carboxamide is sourced from PubChem (CID 158414599), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).