2-[3-[3-[(3-fluorocyclopentyl)amino]pyrrolidin-1-yl]-1,2,4-triazin-6-yl]-5-(1H-pyrazol-4-yl)phenol

C21H24FN7O — CID 139536411

IUPAC2-[3-[3-[(3-fluorocyclopentyl)amino]pyrrolidin-1-yl]-1,2,4-triazin-6-yl]-5-(1H-pyrazol-4-yl)phenol
SMILESOc1cc(-c2cn[nH]c2)ccc1-c1cnc(N2CCC(NC3CCC(F)C3)C2)nn1
InChIInChI=1S/C21H24FN7O/c22-15-2-3-16(8-15)26-17-5-6-29(12-17)21-23-11-19(27-28-21)18-4-1-13(7-20(18)30)14-9-24-25-10-14/h1,4,7,9-11,15-17,26,30H,2-3,5-6,8,12H2,(H,24,25)
InChIKeyGOQFFXQBNJORKV-UHFFFAOYSA-N
MW409.47 g/mol
LogP2.69
Rot. Bonds5

About 2-[3-[3-[(3-fluorocyclopentyl)amino]pyrrolidin-1-yl]-1,2,4-triazin-6-yl]-5-(1H-pyrazol-4-yl)phenol

2-[3-[3-[(3-fluorocyclopentyl)amino]pyrrolidin-1-yl]-1,2,4-triazin-6-yl]-5-(1H-pyrazol-4-yl)phenol (PubChem CID 139536411) has the molecular formula C21H24FN7O and a molecular weight of 409.47 g/mol. Its IUPAC name is 2-[3-[3-[(3-fluorocyclopentyl)amino]pyrrolidin-1-yl]-1,2,4-triazin-6-yl]-5-(1H-pyrazol-4-yl)phenol.

Molecular Properties

Compound Name2-[3-[3-[(3-fluorocyclopentyl)amino]pyrrolidin-1-yl]-1,2,4-triazin-6-yl]-5-(1H-pyrazol-4-yl)phenol
PubChem CID139536411
Molecular FormulaC21H24FN7O
Molecular Weight409.47 g/mol
Exact Mass409.20
IUPAC Name2-[3-[3-[(3-fluorocyclopentyl)amino]pyrrolidin-1-yl]-1,2,4-triazin-6-yl]-5-(1H-pyrazol-4-yl)phenol
SMILESOc1cc(-c2cn[nH]c2)ccc1-c1cnc(N2CCC(NC3CCC(F)C3)C2)nn1
InChIInChI=1S/C21H24FN7O/c22-15-2-3-16(8-15)26-17-5-6-29(12-17)21-23-11-19(27-28-21)18-4-1-13(7-20(18)30)14-9-24-25-10-14/h1,4,7,9-11,15-17,26,30H,2-3,5-6,8,12H2,(H,24,25)
InChIKeyGOQFFXQBNJORKV-UHFFFAOYSA-N
XLogP2.69
TPSA102.85 Ų
H-Bond Donors3
H-Bond Acceptors7
Rotatable Bonds5
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500409.47
LogP ≤ 52.69
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 107

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Frequently Asked Questions

What is the IUPAC name of 2-[3-[3-[(3-fluorocyclopentyl)amino]pyrrolidin-1-yl]-1,2,4-triazin-6-yl]-5-(1H-pyrazol-4-yl)phenol?
The IUPAC name of 2-[3-[3-[(3-fluorocyclopentyl)amino]pyrrolidin-1-yl]-1,2,4-triazin-6-yl]-5-(1H-pyrazol-4-yl)phenol (CID 139536411) is 2-[3-[3-[(3-fluorocyclopentyl)amino]pyrrolidin-1-yl]-1,2,4-triazin-6-yl]-5-(1H-pyrazol-4-yl)phenol.
What is the SMILES notation for 2-[3-[3-[(3-fluorocyclopentyl)amino]pyrrolidin-1-yl]-1,2,4-triazin-6-yl]-5-(1H-pyrazol-4-yl)phenol?
The canonical SMILES for 2-[3-[3-[(3-fluorocyclopentyl)amino]pyrrolidin-1-yl]-1,2,4-triazin-6-yl]-5-(1H-pyrazol-4-yl)phenol is Oc1cc(-c2cn[nH]c2)ccc1-c1cnc(N2CCC(NC3CCC(F)C3)C2)nn1.
What is the InChIKey of 2-[3-[3-[(3-fluorocyclopentyl)amino]pyrrolidin-1-yl]-1,2,4-triazin-6-yl]-5-(1H-pyrazol-4-yl)phenol?
The InChIKey is GOQFFXQBNJORKV-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H24FN7O/c22-15-2-3-16(8-15)26-17-5-6-29(12-17)21-23-11-19(27-28-21)18-4-1-13(7-20(18)30)14-9-24-25-10-14/h1,4,7,9-11,15-17,26,30H,2-3,5-6,8,12H2,(H,24,25).
What are the key properties of 2-[3-[3-[(3-fluorocyclopentyl)amino]pyrrolidin-1-yl]-1,2,4-triazin-6-yl]-5-(1H-pyrazol-4-yl)phenol?
2-[3-[3-[(3-fluorocyclopentyl)amino]pyrrolidin-1-yl]-1,2,4-triazin-6-yl]-5-(1H-pyrazol-4-yl)phenol has a molecular weight of 409.47 g/mol, XLogP of 2.69, 5 rotatable bonds, 3 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[3-[3-[(3-fluorocyclopentyl)amino]pyrrolidin-1-yl]-1,2,4-triazin-6-yl]-5-(1H-pyrazol-4-yl)phenol is sourced from PubChem (CID 139536411), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).