(3R)-N-[(1S,3R)-3-[[5-cyano-3-fluoro-6-(5-fluoro-1H-pyrrolo[2,3-b]pyridin-3-yl)-2-pyridinyl]amino]cyclohexyl]-3-fluoropyrrolidine-1-carboxamide

C24H24F3N7O — CID 57388490

About (3R)-N-[(1S,3R)-3-[[5-cyano-3-fluoro-6-(5-fluoro-1H-pyrrolo[2,3-b]pyridin-3-yl)-2-pyridinyl]amino]cyclohexyl]-3-fluoropyrrolidine-1-carboxamide

(3R)-N-[(1S,3R)-3-[[5-cyano-3-fluoro-6-(5-fluoro-1H-pyrrolo[2,3-b]pyridin-3-yl)-2-pyridinyl]amino]cyclohexyl]-3-fluoropyrrolidine-1-carboxamide (PubChem CID 57388490) has the molecular formula C24H24F3N7O and a molecular weight of 483.50 g/mol. Its IUPAC name is (3R)-N-[(1S,3R)-3-[[5-cyano-3-fluoro-6-(5-fluoro-1H-pyrrolo[2,3-b]pyridin-3-yl)-2-pyridinyl]amino]cyclohexyl]-3-fluoropyrrolidine-1-carboxamide.

Molecular Properties

• Compound Name: (3R)-N-[(1S,3R)-3-[[5-cyano-3-fluoro-6-(5-fluoro-1H-pyrrolo[2,3-b]pyridin-3-yl)-2-pyridinyl]amino]cyclohexyl]-3-fluoropyrrolidine-1-carboxamide
• PubChem CID: 57388490
• Molecular Formula: C24H24F3N7O
• Molecular Weight: 483.50 g/mol
• Exact Mass: 483.20
• IUPAC Name: (3R)-N-[(1S,3R)-3-[[5-cyano-3-fluoro-6-(5-fluoro-1H-pyrrolo[2,3-b]pyridin-3-yl)-2-pyridinyl]amino]cyclohexyl]-3-fluoropyrrolidine-1-carboxamide
• SMILES: N#Cc1cc(F)c(N[C@@H]2CCC[C@H](NC(=O)N3CC[C@@H](F)C3)C2)nc1-c1c[nH]c2ncc(F)cc12
• InChI: InChI=1S/C24H24F3N7O/c25-14-4-5-34(12-14)24(35)32-17-3-1-2-16(8-17)31-23-20(27)6-13(9-28)21(33-23)19-11-30-22-18(19)7-15(26)10-29-22/h6-7,10-11,14,16-17H,1-5,8,12H2,(H,29,30)(H,31,33)(H,32,35)/t14-,16-,17+/m1/s1
• InChIKey: CLHTXFLXEKNDBX-OIISXLGYSA-N
• XLogP: 4.25
• TPSA: 109.73 Ų
• H-Bond Donors: 3
• H-Bond Acceptors: 5
• Rotatable Bonds: 4
• Heavy Atoms: 35
• Complexity: —

Lipinski Rule of Five

Passes Rule of Five

Rule	Value
MW ≤ 500	483.50
LogP ≤ 5	4.25
H-Bond Donors ≤ 5	3
H-Bond Acceptors ≤ 10	5

Frequently Asked Questions

What is the IUPAC name of (3R)-N-[(1S,3R)-3-[[5-cyano-3-fluoro-6-(5-fluoro-1H-pyrrolo[2,3-b]pyridin-3-yl)-2-pyridinyl]amino]cyclohexyl]-3-fluoropyrrolidine-1-carboxamide?

The IUPAC name of (3R)-N-[(1S,3R)-3-[[5-cyano-3-fluoro-6-(5-fluoro-1H-pyrrolo[2,3-b]pyridin-3-yl)-2-pyridinyl]amino]cyclohexyl]-3-fluoropyrrolidine-1-carboxamide (CID 57388490) is (3R)-N-[(1S,3R)-3-[[5-cyano-3-fluoro-6-(5-fluoro-1H-pyrrolo[2,3-b]pyridin-3-yl)-2-pyridinyl]amino]cyclohexyl]-3-fluoropyrrolidine-1-carboxamide.

What is the SMILES notation for (3R)-N-[(1S,3R)-3-[[5-cyano-3-fluoro-6-(5-fluoro-1H-pyrrolo[2,3-b]pyridin-3-yl)-2-pyridinyl]amino]cyclohexyl]-3-fluoropyrrolidine-1-carboxamide?

The canonical SMILES for (3R)-N-[(1S,3R)-3-[[5-cyano-3-fluoro-6-(5-fluoro-1H-pyrrolo[2,3-b]pyridin-3-yl)-2-pyridinyl]amino]cyclohexyl]-3-fluoropyrrolidine-1-carboxamide is N#Cc1cc(F)c(N[C@@H]2CCC[C@H](NC(=O)N3CC[C@@H](F)C3)C2)nc1-c1c[nH]c2ncc(F)cc12.

What is the InChIKey of (3R)-N-[(1S,3R)-3-[[5-cyano-3-fluoro-6-(5-fluoro-1H-pyrrolo[2,3-b]pyridin-3-yl)-2-pyridinyl]amino]cyclohexyl]-3-fluoropyrrolidine-1-carboxamide?

The InChIKey is CLHTXFLXEKNDBX-OIISXLGYSA-N. The full InChI is InChI=1S/C24H24F3N7O/c25-14-4-5-34(12-14)24(35)32-17-3-1-2-16(8-17)31-23-20(27)6-13(9-28)21(33-23)19-11-30-22-18(19)7-15(26)10-29-22/h6-7,10-11,14,16-17H,1-5,8,12H2,(H,29,30)(H,31,33)(H,32,35)/t14-,16-,17+/m1/s1.

What are the key properties of (3R)-N-[(1S,3R)-3-[[5-cyano-3-fluoro-6-(5-fluoro-1H-pyrrolo[2,3-b]pyridin-3-yl)-2-pyridinyl]amino]cyclohexyl]-3-fluoropyrrolidine-1-carboxamide?

(3R)-N-[(1S,3R)-3-[[5-cyano-3-fluoro-6-(5-fluoro-1H-pyrrolo[2,3-b]pyridin-3-yl)-2-pyridinyl]amino]cyclohexyl]-3-fluoropyrrolidine-1-carboxamide has a molecular weight of 483.50 g/mol, XLogP of 4.25, 4 rotatable bonds, 3 hydrogen bond donors, and 5 hydrogen bond acceptors.

Where does this data come from?

All data for (3R)-N-[(1S,3R)-3-[[5-cyano-3-fluoro-6-(5-fluoro-1H-pyrrolo[2,3-b]pyridin-3-yl)-2-pyridinyl]amino]cyclohexyl]-3-fluoropyrrolidine-1-carboxamide is sourced from PubChem (CID 57388490), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).