2-fluoro-3-[4-(propan-2-ylamino)-6-(pyrazolo[1,5-a]pyridin-6-ylamino)-1,3,5-triazin-2-yl]cyclohex-2-en-1-ol

C19H22FN7O — CID 138469190

About 2-fluoro-3-[4-(propan-2-ylamino)-6-(pyrazolo[1,5-a]pyridin-6-ylamino)-1,3,5-triazin-2-yl]cyclohex-2-en-1-ol

2-fluoro-3-[4-(propan-2-ylamino)-6-(pyrazolo[1,5-a]pyridin-6-ylamino)-1,3,5-triazin-2-yl]cyclohex-2-en-1-ol (PubChem CID 138469190) has the molecular formula C19H22FN7O and a molecular weight of 383.43 g/mol. Its IUPAC name is 2-fluoro-3-[4-(propan-2-ylamino)-6-(pyrazolo[1,5-a]pyridin-6-ylamino)-1,3,5-triazin-2-yl]cyclohex-2-en-1-ol.

Molecular Properties

• Compound Name: 2-fluoro-3-[4-(propan-2-ylamino)-6-(pyrazolo[1,5-a]pyridin-6-ylamino)-1,3,5-triazin-2-yl]cyclohex-2-en-1-ol
• PubChem CID: 138469190
• Molecular Formula: C19H22FN7O
• Molecular Weight: 383.43 g/mol
• Exact Mass: 383.19
• IUPAC Name: 2-fluoro-3-[4-(propan-2-ylamino)-6-(pyrazolo[1,5-a]pyridin-6-ylamino)-1,3,5-triazin-2-yl]cyclohex-2-en-1-ol
• SMILES: CC(C)Nc1nc(Nc2ccc3ccnn3c2)nc(C2=C(F)C(O)CCC2)n1
• InChI: InChI=1S/C19H22FN7O/c1-11(2)22-18-24-17(14-4-3-5-15(28)16(14)20)25-19(26-18)23-12-6-7-13-8-9-21-27(13)10-12/h6-11,15,28H,3-5H2,1-2H3,(H2,22,23,24,25,26)
• InChIKey: YWNLZTMUPQMDRN-UHFFFAOYSA-N
• XLogP: 3.31
• TPSA: 100.26 Ų
• H-Bond Donors: 3
• H-Bond Acceptors: 8
• Rotatable Bonds: 5
• Heavy Atoms: 28
• Complexity: —

Lipinski Rule of Five

Passes Rule of Five

Rule	Value
MW ≤ 500	383.43
LogP ≤ 5	3.31
H-Bond Donors ≤ 5	3
H-Bond Acceptors ≤ 10	8

Frequently Asked Questions

What is the IUPAC name of 2-fluoro-3-[4-(propan-2-ylamino)-6-(pyrazolo[1,5-a]pyridin-6-ylamino)-1,3,5-triazin-2-yl]cyclohex-2-en-1-ol?

The IUPAC name of 2-fluoro-3-[4-(propan-2-ylamino)-6-(pyrazolo[1,5-a]pyridin-6-ylamino)-1,3,5-triazin-2-yl]cyclohex-2-en-1-ol (CID 138469190) is 2-fluoro-3-[4-(propan-2-ylamino)-6-(pyrazolo[1,5-a]pyridin-6-ylamino)-1,3,5-triazin-2-yl]cyclohex-2-en-1-ol.

What is the SMILES notation for 2-fluoro-3-[4-(propan-2-ylamino)-6-(pyrazolo[1,5-a]pyridin-6-ylamino)-1,3,5-triazin-2-yl]cyclohex-2-en-1-ol?

The canonical SMILES for 2-fluoro-3-[4-(propan-2-ylamino)-6-(pyrazolo[1,5-a]pyridin-6-ylamino)-1,3,5-triazin-2-yl]cyclohex-2-en-1-ol is CC(C)Nc1nc(Nc2ccc3ccnn3c2)nc(C2=C(F)C(O)CCC2)n1.

What is the InChIKey of 2-fluoro-3-[4-(propan-2-ylamino)-6-(pyrazolo[1,5-a]pyridin-6-ylamino)-1,3,5-triazin-2-yl]cyclohex-2-en-1-ol?

The InChIKey is YWNLZTMUPQMDRN-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H22FN7O/c1-11(2)22-18-24-17(14-4-3-5-15(28)16(14)20)25-19(26-18)23-12-6-7-13-8-9-21-27(13)10-12/h6-11,15,28H,3-5H2,1-2H3,(H2,22,23,24,25,26).

What are the key properties of 2-fluoro-3-[4-(propan-2-ylamino)-6-(pyrazolo[1,5-a]pyridin-6-ylamino)-1,3,5-triazin-2-yl]cyclohex-2-en-1-ol?

2-fluoro-3-[4-(propan-2-ylamino)-6-(pyrazolo[1,5-a]pyridin-6-ylamino)-1,3,5-triazin-2-yl]cyclohex-2-en-1-ol has a molecular weight of 383.43 g/mol, XLogP of 3.31, 5 rotatable bonds, 3 hydrogen bond donors, and 8 hydrogen bond acceptors.

Where does this data come from?

All data for 2-fluoro-3-[4-(propan-2-ylamino)-6-(pyrazolo[1,5-a]pyridin-6-ylamino)-1,3,5-triazin-2-yl]cyclohex-2-en-1-ol is sourced from PubChem (CID 138469190), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).