2-[1-(4-fluorophenyl)-3-morpholin-4-ylpropyl]-N-(1H-pyrazol-5-yl)pyrrolo[2,1-f][1,2,4]triazin-4-amine

C22H24FN7O — CID 58494486

IUPAC2-[1-(4-fluorophenyl)-3-morpholin-4-ylpropyl]-N-(1H-pyrazol-5-yl)pyrrolo[2,1-f][1,2,4]triazin-4-amine
SMILESFc1ccc(C(CCN2CCOCC2)c2nc(Nc3ccn[nH]3)c3cccn3n2)cc1
InChIInChI=1S/C22H24FN7O/c23-17-5-3-16(4-6-17)18(8-11-29-12-14-31-15-13-29)21-26-22(25-20-7-9-24-27-20)19-2-1-10-30(19)28-21/h1-7,9-10,18H,8,11-15H2,(H2,24,25,26,27,28)
InChIKeyDLKTXPOAJTTZMD-UHFFFAOYSA-N
MW421.48 g/mol
LogP3.19
Rot. Bonds7

About 2-[1-(4-fluorophenyl)-3-morpholin-4-ylpropyl]-N-(1H-pyrazol-5-yl)pyrrolo[2,1-f][1,2,4]triazin-4-amine

2-[1-(4-fluorophenyl)-3-morpholin-4-ylpropyl]-N-(1H-pyrazol-5-yl)pyrrolo[2,1-f][1,2,4]triazin-4-amine (PubChem CID 58494486) has the molecular formula C22H24FN7O and a molecular weight of 421.48 g/mol. Its IUPAC name is 2-[1-(4-fluorophenyl)-3-morpholin-4-ylpropyl]-N-(1H-pyrazol-5-yl)pyrrolo[2,1-f][1,2,4]triazin-4-amine.

Molecular Properties

Compound Name2-[1-(4-fluorophenyl)-3-morpholin-4-ylpropyl]-N-(1H-pyrazol-5-yl)pyrrolo[2,1-f][1,2,4]triazin-4-amine
PubChem CID58494486
Molecular FormulaC22H24FN7O
Molecular Weight421.48 g/mol
Exact Mass421.20
IUPAC Name2-[1-(4-fluorophenyl)-3-morpholin-4-ylpropyl]-N-(1H-pyrazol-5-yl)pyrrolo[2,1-f][1,2,4]triazin-4-amine
SMILESFc1ccc(C(CCN2CCOCC2)c2nc(Nc3ccn[nH]3)c3cccn3n2)cc1
InChIInChI=1S/C22H24FN7O/c23-17-5-3-16(4-6-17)18(8-11-29-12-14-31-15-13-29)21-26-22(25-20-7-9-24-27-20)19-2-1-10-30(19)28-21/h1-7,9-10,18H,8,11-15H2,(H2,24,25,26,27,28)
InChIKeyDLKTXPOAJTTZMD-UHFFFAOYSA-N
XLogP3.19
TPSA83.37 Ų
H-Bond Donors2
H-Bond Acceptors7
Rotatable Bonds7
Heavy Atoms31
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500421.48
LogP ≤ 53.19
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 107

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Frequently Asked Questions

What is the IUPAC name of 2-[1-(4-fluorophenyl)-3-morpholin-4-ylpropyl]-N-(1H-pyrazol-5-yl)pyrrolo[2,1-f][1,2,4]triazin-4-amine?
The IUPAC name of 2-[1-(4-fluorophenyl)-3-morpholin-4-ylpropyl]-N-(1H-pyrazol-5-yl)pyrrolo[2,1-f][1,2,4]triazin-4-amine (CID 58494486) is 2-[1-(4-fluorophenyl)-3-morpholin-4-ylpropyl]-N-(1H-pyrazol-5-yl)pyrrolo[2,1-f][1,2,4]triazin-4-amine.
What is the SMILES notation for 2-[1-(4-fluorophenyl)-3-morpholin-4-ylpropyl]-N-(1H-pyrazol-5-yl)pyrrolo[2,1-f][1,2,4]triazin-4-amine?
The canonical SMILES for 2-[1-(4-fluorophenyl)-3-morpholin-4-ylpropyl]-N-(1H-pyrazol-5-yl)pyrrolo[2,1-f][1,2,4]triazin-4-amine is Fc1ccc(C(CCN2CCOCC2)c2nc(Nc3ccn[nH]3)c3cccn3n2)cc1.
What is the InChIKey of 2-[1-(4-fluorophenyl)-3-morpholin-4-ylpropyl]-N-(1H-pyrazol-5-yl)pyrrolo[2,1-f][1,2,4]triazin-4-amine?
The InChIKey is DLKTXPOAJTTZMD-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H24FN7O/c23-17-5-3-16(4-6-17)18(8-11-29-12-14-31-15-13-29)21-26-22(25-20-7-9-24-27-20)19-2-1-10-30(19)28-21/h1-7,9-10,18H,8,11-15H2,(H2,24,25,26,27,28).
What are the key properties of 2-[1-(4-fluorophenyl)-3-morpholin-4-ylpropyl]-N-(1H-pyrazol-5-yl)pyrrolo[2,1-f][1,2,4]triazin-4-amine?
2-[1-(4-fluorophenyl)-3-morpholin-4-ylpropyl]-N-(1H-pyrazol-5-yl)pyrrolo[2,1-f][1,2,4]triazin-4-amine has a molecular weight of 421.48 g/mol, XLogP of 3.19, 7 rotatable bonds, 2 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[1-(4-fluorophenyl)-3-morpholin-4-ylpropyl]-N-(1H-pyrazol-5-yl)pyrrolo[2,1-f][1,2,4]triazin-4-amine is sourced from PubChem (CID 58494486), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).