2-[(4-fluorophenyl)-[[(2R)-oxolan-2-yl]methylamino]methyl]-N-(5-methyl-1H-pyrazol-3-yl)pyrrolo[2,1-f][1,2,4]triazin-4-amine

C22H24FN7O — CID 58494458

IUPAC2-[(4-fluorophenyl)-[[(2R)-oxolan-2-yl]methylamino]methyl]-N-(5-methyl-1H-pyrazol-3-yl)pyrrolo[2,1-f][1,2,4]triazin-4-amine
SMILESCc1cc(Nc2nc(C(NC[C@H]3CCCO3)c3ccc(F)cc3)nn3cccc23)n[nH]1
InChIInChI=1S/C22H24FN7O/c1-14-12-19(28-27-14)25-21-18-5-2-10-30(18)29-22(26-21)20(15-6-8-16(23)9-7-15)24-13-17-4-3-11-31-17/h2,5-10,12,17,20,24H,3-4,11,13H2,1H3,(H2,25,26,27,28,29)/t17-,20?/m1/s1
InChIKeyZBKYWAADWQSVFW-DIAVIDTQSA-N
MW421.48 g/mol
LogP3.50
Rot. Bonds7

About 2-[(4-fluorophenyl)-[[(2R)-oxolan-2-yl]methylamino]methyl]-N-(5-methyl-1H-pyrazol-3-yl)pyrrolo[2,1-f][1,2,4]triazin-4-amine

2-[(4-fluorophenyl)-[[(2R)-oxolan-2-yl]methylamino]methyl]-N-(5-methyl-1H-pyrazol-3-yl)pyrrolo[2,1-f][1,2,4]triazin-4-amine (PubChem CID 58494458) has the molecular formula C22H24FN7O and a molecular weight of 421.48 g/mol. Its IUPAC name is 2-[(4-fluorophenyl)-[[(2R)-oxolan-2-yl]methylamino]methyl]-N-(5-methyl-1H-pyrazol-3-yl)pyrrolo[2,1-f][1,2,4]triazin-4-amine.

Molecular Properties

Compound Name2-[(4-fluorophenyl)-[[(2R)-oxolan-2-yl]methylamino]methyl]-N-(5-methyl-1H-pyrazol-3-yl)pyrrolo[2,1-f][1,2,4]triazin-4-amine
PubChem CID58494458
Molecular FormulaC22H24FN7O
Molecular Weight421.48 g/mol
Exact Mass421.20
IUPAC Name2-[(4-fluorophenyl)-[[(2R)-oxolan-2-yl]methylamino]methyl]-N-(5-methyl-1H-pyrazol-3-yl)pyrrolo[2,1-f][1,2,4]triazin-4-amine
SMILESCc1cc(Nc2nc(C(NC[C@H]3CCCO3)c3ccc(F)cc3)nn3cccc23)n[nH]1
InChIInChI=1S/C22H24FN7O/c1-14-12-19(28-27-14)25-21-18-5-2-10-30(18)29-22(26-21)20(15-6-8-16(23)9-7-15)24-13-17-4-3-11-31-17/h2,5-10,12,17,20,24H,3-4,11,13H2,1H3,(H2,25,26,27,28,29)/t17-,20?/m1/s1
InChIKeyZBKYWAADWQSVFW-DIAVIDTQSA-N
XLogP3.50
TPSA92.16 Ų
H-Bond Donors3
H-Bond Acceptors7
Rotatable Bonds7
Heavy Atoms31
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500421.48
LogP ≤ 53.50
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 107

Analyze 2-[(4-fluorophenyl)-[[(2R)-oxolan-2-yl]methylamino]methyl]-N-(5-methyl-1H-pyrazol-3-yl)pyrrolo[2,1-f][1,2,4]triazin-4-amine with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

2-[(4-fluorophenyl)-(methoxyamino)methyl]-N-(5-methyl-1H-pyrazol-3-yl)pyrrolo[2,1-f][1,2,4]triazin-4-amine
CID 45107763
2-[dimethylamino-(4-fluorophenyl)methyl]-N-(5-methyl-1H-pyrazol-3-yl)pyrrolo[2,1-f][1,2,4]triazin-4-amine
CID 58494368
2-(4,4-difluoropiperidin-1-yl)-N-[(4-fluorophenyl)-[4-[(5-methyl-1H-pyrazol-3-yl)amino]pyrrolo[2,1-f][1,2,4]triazin-2-yl]methyl]acetamide
CID 58494409
2-(2,2-difluoropiperidin-1-yl)-N-[(4-fluorophenyl)-[4-[(5-methyl-1H-pyrazol-3-yl)amino]pyrrolo[2,1-f][1,2,4]triazin-2-yl]methyl]acetamide
CID 66984922
(4-fluoro-3-methylphenyl)-[4-[(5-methyl-1H-pyrazol-3-yl)amino]pyrrolo[2,1-f][1,2,4]triazin-2-yl]methanol
CID 58494344
2-[(4-fluorophenyl)-[3-(4-methylpiperazin-1-yl)propylsulfanyl]methyl]-N-(5-methyl-1H-pyrazol-3-yl)pyrrolo[2,1-f][1,2,4]triazin-4-amine
CID 58494460
1-(4-fluorophenyl)-N-(oxolan-2-ylmethyl)-1-phenylmethanamine
CID 43196282
2-[2-[(4-fluorophenyl)-hydroxymethyl]-4-[(5-methyl-1H-pyrazol-3-yl)amino]pyrrolo[2,1-f][1,2,4]triazin-6-yl]propan-2-ol
CID 45101319
2-[4-fluoro-2-(trifluoromethyl)phenyl]-1-[4-[4-[(5-methyl-1H-pyrazol-3-yl)amino]pyrrolo[2,1-f][1,2,4]triazin-2-yl]piperazin-1-yl]ethanone
CID 58532752
2-[(2Z,4Z)-hexa-2,4-dienyl]-N-(5-methyl-1H-pyrazol-3-yl)pyrrolo[2,1-f][1,2,4]triazin-4-amine
CID 143218728
(2R)-2-hydroxy-1-[4-[4-[(5-methyl-1H-pyrazol-3-yl)amino]pyrrolo[2,1-f][1,2,4]triazin-2-yl]piperazin-1-yl]-2-phenylethanone
CID 58532775
(2S)-2-methyl-1-[4-[(5-methyl-1H-pyrazol-3-yl)amino]pyrrolo[2,1-f][1,2,4]triazin-2-yl]pyrrolidine-2-carboxamide
CID 90243337

Frequently Asked Questions

What is the IUPAC name of 2-[(4-fluorophenyl)-[[(2R)-oxolan-2-yl]methylamino]methyl]-N-(5-methyl-1H-pyrazol-3-yl)pyrrolo[2,1-f][1,2,4]triazin-4-amine?
The IUPAC name of 2-[(4-fluorophenyl)-[[(2R)-oxolan-2-yl]methylamino]methyl]-N-(5-methyl-1H-pyrazol-3-yl)pyrrolo[2,1-f][1,2,4]triazin-4-amine (CID 58494458) is 2-[(4-fluorophenyl)-[[(2R)-oxolan-2-yl]methylamino]methyl]-N-(5-methyl-1H-pyrazol-3-yl)pyrrolo[2,1-f][1,2,4]triazin-4-amine.
What is the SMILES notation for 2-[(4-fluorophenyl)-[[(2R)-oxolan-2-yl]methylamino]methyl]-N-(5-methyl-1H-pyrazol-3-yl)pyrrolo[2,1-f][1,2,4]triazin-4-amine?
The canonical SMILES for 2-[(4-fluorophenyl)-[[(2R)-oxolan-2-yl]methylamino]methyl]-N-(5-methyl-1H-pyrazol-3-yl)pyrrolo[2,1-f][1,2,4]triazin-4-amine is Cc1cc(Nc2nc(C(NC[C@H]3CCCO3)c3ccc(F)cc3)nn3cccc23)n[nH]1.
What is the InChIKey of 2-[(4-fluorophenyl)-[[(2R)-oxolan-2-yl]methylamino]methyl]-N-(5-methyl-1H-pyrazol-3-yl)pyrrolo[2,1-f][1,2,4]triazin-4-amine?
The InChIKey is ZBKYWAADWQSVFW-DIAVIDTQSA-N. The full InChI is InChI=1S/C22H24FN7O/c1-14-12-19(28-27-14)25-21-18-5-2-10-30(18)29-22(26-21)20(15-6-8-16(23)9-7-15)24-13-17-4-3-11-31-17/h2,5-10,12,17,20,24H,3-4,11,13H2,1H3,(H2,25,26,27,28,29)/t17-,20?/m1/s1.
What are the key properties of 2-[(4-fluorophenyl)-[[(2R)-oxolan-2-yl]methylamino]methyl]-N-(5-methyl-1H-pyrazol-3-yl)pyrrolo[2,1-f][1,2,4]triazin-4-amine?
2-[(4-fluorophenyl)-[[(2R)-oxolan-2-yl]methylamino]methyl]-N-(5-methyl-1H-pyrazol-3-yl)pyrrolo[2,1-f][1,2,4]triazin-4-amine has a molecular weight of 421.48 g/mol, XLogP of 3.50, 7 rotatable bonds, 3 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(4-fluorophenyl)-[[(2R)-oxolan-2-yl]methylamino]methyl]-N-(5-methyl-1H-pyrazol-3-yl)pyrrolo[2,1-f][1,2,4]triazin-4-amine is sourced from PubChem (CID 58494458), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).