N-[(1R)-3-[[5-cyano-3-fluoro-6-(7-fluoro-5-methyl-1H-indol-3-yl)-2-pyridinyl]amino]cyclohexyl]-2,5-dimethyl-1,3-oxazole-4-carboxamide

C27H26F2N6O2 — CID 145012966

About N-[(1R)-3-[[5-cyano-3-fluoro-6-(7-fluoro-5-methyl-1H-indol-3-yl)-2-pyridinyl]amino]cyclohexyl]-2,5-dimethyl-1,3-oxazole-4-carboxamide

N-[(1R)-3-[[5-cyano-3-fluoro-6-(7-fluoro-5-methyl-1H-indol-3-yl)-2-pyridinyl]amino]cyclohexyl]-2,5-dimethyl-1,3-oxazole-4-carboxamide (PubChem CID 145012966) has the molecular formula C27H26F2N6O2 and a molecular weight of 504.54 g/mol. Its IUPAC name is N-[(1R)-3-[[5-cyano-3-fluoro-6-(7-fluoro-5-methyl-1H-indol-3-yl)-2-pyridinyl]amino]cyclohexyl]-2,5-dimethyl-1,3-oxazole-4-carboxamide.

Molecular Properties

• Compound Name: N-[(1R)-3-[[5-cyano-3-fluoro-6-(7-fluoro-5-methyl-1H-indol-3-yl)-2-pyridinyl]amino]cyclohexyl]-2,5-dimethyl-1,3-oxazole-4-carboxamide
• PubChem CID: 145012966
• Molecular Formula: C27H26F2N6O2
• Molecular Weight: 504.54 g/mol
• Exact Mass: 504.21
• IUPAC Name: N-[(1R)-3-[[5-cyano-3-fluoro-6-(7-fluoro-5-methyl-1H-indol-3-yl)-2-pyridinyl]amino]cyclohexyl]-2,5-dimethyl-1,3-oxazole-4-carboxamide
• SMILES: Cc1cc(F)c2[nH]cc(-c3nc(NC4CCC[C@@H](NC(=O)c5nc(C)oc5C)C4)c(F)cc3C#N)c2c1
• InChI: InChI=1S/C27H26F2N6O2/c1-13-7-19-20(12-31-25(19)21(28)8-13)24-16(11-30)9-22(29)26(35-24)33-17-5-4-6-18(10-17)34-27(36)23-14(2)37-15(3)32-23/h7-9,12,17-18,31H,4-6,10H2,1-3H3,(H,33,35)(H,34,36)/t17?,18-/m1/s1
• InChIKey: LDAQTLIGBDFLKH-QRWMCTBCSA-N
• XLogP: 5.45
• TPSA: 119.63 Ų
• H-Bond Donors: 3
• H-Bond Acceptors: 6
• Rotatable Bonds: 5
• Heavy Atoms: 37
• Complexity: —

Lipinski Rule of Five

2 violations

Rule	Value
MW ≤ 500	504.54
LogP ≤ 5	5.45
H-Bond Donors ≤ 5	3
H-Bond Acceptors ≤ 10	6

Frequently Asked Questions

What is the IUPAC name of N-[(1R)-3-[[5-cyano-3-fluoro-6-(7-fluoro-5-methyl-1H-indol-3-yl)-2-pyridinyl]amino]cyclohexyl]-2,5-dimethyl-1,3-oxazole-4-carboxamide?

The IUPAC name of N-[(1R)-3-[[5-cyano-3-fluoro-6-(7-fluoro-5-methyl-1H-indol-3-yl)-2-pyridinyl]amino]cyclohexyl]-2,5-dimethyl-1,3-oxazole-4-carboxamide (CID 145012966) is N-[(1R)-3-[[5-cyano-3-fluoro-6-(7-fluoro-5-methyl-1H-indol-3-yl)-2-pyridinyl]amino]cyclohexyl]-2,5-dimethyl-1,3-oxazole-4-carboxamide.

What is the SMILES notation for N-[(1R)-3-[[5-cyano-3-fluoro-6-(7-fluoro-5-methyl-1H-indol-3-yl)-2-pyridinyl]amino]cyclohexyl]-2,5-dimethyl-1,3-oxazole-4-carboxamide?

The canonical SMILES for N-[(1R)-3-[[5-cyano-3-fluoro-6-(7-fluoro-5-methyl-1H-indol-3-yl)-2-pyridinyl]amino]cyclohexyl]-2,5-dimethyl-1,3-oxazole-4-carboxamide is Cc1cc(F)c2[nH]cc(-c3nc(NC4CCC[C@@H](NC(=O)c5nc(C)oc5C)C4)c(F)cc3C#N)c2c1.

What is the InChIKey of N-[(1R)-3-[[5-cyano-3-fluoro-6-(7-fluoro-5-methyl-1H-indol-3-yl)-2-pyridinyl]amino]cyclohexyl]-2,5-dimethyl-1,3-oxazole-4-carboxamide?

The InChIKey is LDAQTLIGBDFLKH-QRWMCTBCSA-N. The full InChI is InChI=1S/C27H26F2N6O2/c1-13-7-19-20(12-31-25(19)21(28)8-13)24-16(11-30)9-22(29)26(35-24)33-17-5-4-6-18(10-17)34-27(36)23-14(2)37-15(3)32-23/h7-9,12,17-18,31H,4-6,10H2,1-3H3,(H,33,35)(H,34,36)/t17?,18-/m1/s1.

What are the key properties of N-[(1R)-3-[[5-cyano-3-fluoro-6-(7-fluoro-5-methyl-1H-indol-3-yl)-2-pyridinyl]amino]cyclohexyl]-2,5-dimethyl-1,3-oxazole-4-carboxamide?

N-[(1R)-3-[[5-cyano-3-fluoro-6-(7-fluoro-5-methyl-1H-indol-3-yl)-2-pyridinyl]amino]cyclohexyl]-2,5-dimethyl-1,3-oxazole-4-carboxamide has a molecular weight of 504.54 g/mol, XLogP of 5.45, 5 rotatable bonds, 3 hydrogen bond donors, and 6 hydrogen bond acceptors.

Where does this data come from?

All data for N-[(1R)-3-[[5-cyano-3-fluoro-6-(7-fluoro-5-methyl-1H-indol-3-yl)-2-pyridinyl]amino]cyclohexyl]-2,5-dimethyl-1,3-oxazole-4-carboxamide is sourced from PubChem (CID 145012966), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).