cis-(1S,3R)-3-(3-cyano-2-oxopropyl)-N-[4-(7-fluoro-2-methyl-3-propan-2-ylindazol-5-yl)-5-methyl-2-pyridinyl]cyclohexane-1-carboxamide

C28H32FN5O2 — CID 167665423

About cis-(1S,3R)-3-(3-cyano-2-oxopropyl)-N-[4-(7-fluoro-2-methyl-3-propan-2-ylindazol-5-yl)-5-methyl-2-pyridinyl]cyclohexane-1-carboxamide

cis-(1S,3R)-3-(3-cyano-2-oxopropyl)-N-[4-(7-fluoro-2-methyl-3-propan-2-ylindazol-5-yl)-5-methyl-2-pyridinyl]cyclohexane-1-carboxamide (PubChem CID 167665423) has the molecular formula C28H32FN5O2 and a molecular weight of 489.60 g/mol. Its IUPAC name is cis-(1S,3R)-3-(3-cyano-2-oxopropyl)-N-[4-(7-fluoro-2-methyl-3-propan-2-ylindazol-5-yl)-5-methyl-2-pyridinyl]cyclohexane-1-carboxamide.

Molecular Properties

• Compound Name: cis-(1S,3R)-3-(3-cyano-2-oxopropyl)-N-[4-(7-fluoro-2-methyl-3-propan-2-ylindazol-5-yl)-5-methyl-2-pyridinyl]cyclohexane-1-carboxamide
• PubChem CID: 167665423
• Molecular Formula: C28H32FN5O2
• Molecular Weight: 489.60 g/mol
• Exact Mass: 489.25
• IUPAC Name: cis-(1S,3R)-3-(3-cyano-2-oxopropyl)-N-[4-(7-fluoro-2-methyl-3-propan-2-ylindazol-5-yl)-5-methyl-2-pyridinyl]cyclohexane-1-carboxamide
• SMILES: Cc1cnc(NC(=O)[C@H]2CCC[C@@H](CC(=O)CC#N)C2)cc1-c1cc(F)c2nn(C)c(C(C)C)c2c1
• InChI: InChI=1S/C28H32FN5O2/c1-16(2)27-23-12-20(13-24(29)26(23)33-34(27)4)22-14-25(31-15-17(22)3)32-28(36)19-7-5-6-18(10-19)11-21(35)8-9-30/h12-16,18-19H,5-8,10-11H2,1-4H3,(H,31,32,36)/t18-,19+/m1/s1
• InChIKey: SOIKSGQPLCOHQG-MOPGFXCFSA-N
• XLogP: 5.82
• TPSA: 100.67 Ų
• H-Bond Donors: 1
• H-Bond Acceptors: 6
• Rotatable Bonds: 7
• Heavy Atoms: 36
• Complexity: —

Lipinski Rule of Five

1 violation

Rule	Value
MW ≤ 500	489.60
LogP ≤ 5	5.82
H-Bond Donors ≤ 5	1
H-Bond Acceptors ≤ 10	6

Frequently Asked Questions

What is the IUPAC name of cis-(1S,3R)-3-(3-cyano-2-oxopropyl)-N-[4-(7-fluoro-2-methyl-3-propan-2-ylindazol-5-yl)-5-methyl-2-pyridinyl]cyclohexane-1-carboxamide?

The IUPAC name of cis-(1S,3R)-3-(3-cyano-2-oxopropyl)-N-[4-(7-fluoro-2-methyl-3-propan-2-ylindazol-5-yl)-5-methyl-2-pyridinyl]cyclohexane-1-carboxamide (CID 167665423) is cis-(1S,3R)-3-(3-cyano-2-oxopropyl)-N-[4-(7-fluoro-2-methyl-3-propan-2-ylindazol-5-yl)-5-methyl-2-pyridinyl]cyclohexane-1-carboxamide.

What is the SMILES notation for cis-(1S,3R)-3-(3-cyano-2-oxopropyl)-N-[4-(7-fluoro-2-methyl-3-propan-2-ylindazol-5-yl)-5-methyl-2-pyridinyl]cyclohexane-1-carboxamide?

The canonical SMILES for cis-(1S,3R)-3-(3-cyano-2-oxopropyl)-N-[4-(7-fluoro-2-methyl-3-propan-2-ylindazol-5-yl)-5-methyl-2-pyridinyl]cyclohexane-1-carboxamide is Cc1cnc(NC(=O)[C@H]2CCC[C@@H](CC(=O)CC#N)C2)cc1-c1cc(F)c2nn(C)c(C(C)C)c2c1.

What is the InChIKey of cis-(1S,3R)-3-(3-cyano-2-oxopropyl)-N-[4-(7-fluoro-2-methyl-3-propan-2-ylindazol-5-yl)-5-methyl-2-pyridinyl]cyclohexane-1-carboxamide?

The InChIKey is SOIKSGQPLCOHQG-MOPGFXCFSA-N. The full InChI is InChI=1S/C28H32FN5O2/c1-16(2)27-23-12-20(13-24(29)26(23)33-34(27)4)22-14-25(31-15-17(22)3)32-28(36)19-7-5-6-18(10-19)11-21(35)8-9-30/h12-16,18-19H,5-8,10-11H2,1-4H3,(H,31,32,36)/t18-,19+/m1/s1.

What are the key properties of cis-(1S,3R)-3-(3-cyano-2-oxopropyl)-N-[4-(7-fluoro-2-methyl-3-propan-2-ylindazol-5-yl)-5-methyl-2-pyridinyl]cyclohexane-1-carboxamide?

cis-(1S,3R)-3-(3-cyano-2-oxopropyl)-N-[4-(7-fluoro-2-methyl-3-propan-2-ylindazol-5-yl)-5-methyl-2-pyridinyl]cyclohexane-1-carboxamide has a molecular weight of 489.60 g/mol, XLogP of 5.82, 7 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.

Where does this data come from?

All data for cis-(1S,3R)-3-(3-cyano-2-oxopropyl)-N-[4-(7-fluoro-2-methyl-3-propan-2-ylindazol-5-yl)-5-methyl-2-pyridinyl]cyclohexane-1-carboxamide is sourced from PubChem (CID 167665423), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).