N-[5-[1-[[3-cyano-6-[(5-cyclopropyl-1H-pyrazol-3-yl)amino]-5-fluoro-2-pyridinyl]amino]ethyl]-2-fluorophenyl]cyclopropanecarboxamide

C24H23F2N7O — CID 67426455

About N-[5-[1-[[3-cyano-6-[(5-cyclopropyl-1H-pyrazol-3-yl)amino]-5-fluoro-2-pyridinyl]amino]ethyl]-2-fluorophenyl]cyclopropanecarboxamide

N-[5-[1-[[3-cyano-6-[(5-cyclopropyl-1H-pyrazol-3-yl)amino]-5-fluoro-2-pyridinyl]amino]ethyl]-2-fluorophenyl]cyclopropanecarboxamide (PubChem CID 67426455) has the molecular formula C24H23F2N7O and a molecular weight of 463.49 g/mol. Its IUPAC name is N-[5-[1-[[3-cyano-6-[(5-cyclopropyl-1H-pyrazol-3-yl)amino]-5-fluoro-2-pyridinyl]amino]ethyl]-2-fluorophenyl]cyclopropanecarboxamide.

Molecular Properties

• Compound Name: N-[5-[1-[[3-cyano-6-[(5-cyclopropyl-1H-pyrazol-3-yl)amino]-5-fluoro-2-pyridinyl]amino]ethyl]-2-fluorophenyl]cyclopropanecarboxamide
• PubChem CID: 67426455
• Molecular Formula: C24H23F2N7O
• Molecular Weight: 463.49 g/mol
• Exact Mass: 463.19
• IUPAC Name: N-[5-[1-[[3-cyano-6-[(5-cyclopropyl-1H-pyrazol-3-yl)amino]-5-fluoro-2-pyridinyl]amino]ethyl]-2-fluorophenyl]cyclopropanecarboxamide
• SMILES: CC(Nc1nc(Nc2cc(C3CC3)[nH]n2)c(F)cc1C#N)c1ccc(F)c(NC(=O)C2CC2)c1
• InChI: InChI=1S/C24H23F2N7O/c1-12(15-6-7-17(25)20(9-15)29-24(34)14-4-5-14)28-22-16(11-27)8-18(26)23(31-22)30-21-10-19(32-33-21)13-2-3-13/h6-10,12-14H,2-5H2,1H3,(H,29,34)(H3,28,30,31,32,33)
• InChIKey: GDAKTVBZKQHUQG-UHFFFAOYSA-N
• XLogP: 5.10
• TPSA: 118.52 Ų
• H-Bond Donors: 4
• H-Bond Acceptors: 6
• Rotatable Bonds: 8
• Heavy Atoms: 34
• Complexity: —

Lipinski Rule of Five

1 violation

Rule	Value
MW ≤ 500	463.49
LogP ≤ 5	5.10
H-Bond Donors ≤ 5	4
H-Bond Acceptors ≤ 10	6

Frequently Asked Questions

What is the IUPAC name of N-[5-[1-[[3-cyano-6-[(5-cyclopropyl-1H-pyrazol-3-yl)amino]-5-fluoro-2-pyridinyl]amino]ethyl]-2-fluorophenyl]cyclopropanecarboxamide?

The IUPAC name of N-[5-[1-[[3-cyano-6-[(5-cyclopropyl-1H-pyrazol-3-yl)amino]-5-fluoro-2-pyridinyl]amino]ethyl]-2-fluorophenyl]cyclopropanecarboxamide (CID 67426455) is N-[5-[1-[[3-cyano-6-[(5-cyclopropyl-1H-pyrazol-3-yl)amino]-5-fluoro-2-pyridinyl]amino]ethyl]-2-fluorophenyl]cyclopropanecarboxamide.

What is the SMILES notation for N-[5-[1-[[3-cyano-6-[(5-cyclopropyl-1H-pyrazol-3-yl)amino]-5-fluoro-2-pyridinyl]amino]ethyl]-2-fluorophenyl]cyclopropanecarboxamide?

The canonical SMILES for N-[5-[1-[[3-cyano-6-[(5-cyclopropyl-1H-pyrazol-3-yl)amino]-5-fluoro-2-pyridinyl]amino]ethyl]-2-fluorophenyl]cyclopropanecarboxamide is CC(Nc1nc(Nc2cc(C3CC3)[nH]n2)c(F)cc1C#N)c1ccc(F)c(NC(=O)C2CC2)c1.

What is the InChIKey of N-[5-[1-[[3-cyano-6-[(5-cyclopropyl-1H-pyrazol-3-yl)amino]-5-fluoro-2-pyridinyl]amino]ethyl]-2-fluorophenyl]cyclopropanecarboxamide?

The InChIKey is GDAKTVBZKQHUQG-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H23F2N7O/c1-12(15-6-7-17(25)20(9-15)29-24(34)14-4-5-14)28-22-16(11-27)8-18(26)23(31-22)30-21-10-19(32-33-21)13-2-3-13/h6-10,12-14H,2-5H2,1H3,(H,29,34)(H3,28,30,31,32,33).

What are the key properties of N-[5-[1-[[3-cyano-6-[(5-cyclopropyl-1H-pyrazol-3-yl)amino]-5-fluoro-2-pyridinyl]amino]ethyl]-2-fluorophenyl]cyclopropanecarboxamide?

N-[5-[1-[[3-cyano-6-[(5-cyclopropyl-1H-pyrazol-3-yl)amino]-5-fluoro-2-pyridinyl]amino]ethyl]-2-fluorophenyl]cyclopropanecarboxamide has a molecular weight of 463.49 g/mol, XLogP of 5.10, 8 rotatable bonds, 4 hydrogen bond donors, and 6 hydrogen bond acceptors.

Where does this data come from?

All data for N-[5-[1-[[3-cyano-6-[(5-cyclopropyl-1H-pyrazol-3-yl)amino]-5-fluoro-2-pyridinyl]amino]ethyl]-2-fluorophenyl]cyclopropanecarboxamide is sourced from PubChem (CID 67426455), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).