1-[2-[(4-fluorophenyl)-[4-[(5-methyl-1H-pyrazol-3-yl)amino]pyrrolo[2,1-f][1,2,4]triazin-2-yl]methoxy]ethyl]pyrrolidin-2-one

C23H24FN7O2 — CID 45101419

IUPAC1-[2-[(4-fluorophenyl)-[4-[(5-methyl-1H-pyrazol-3-yl)amino]pyrrolo[2,1-f][1,2,4]triazin-2-yl]methoxy]ethyl]pyrrolidin-2-one
SMILESCc1cc(Nc2nc(C(OCCN3CCCC3=O)c3ccc(F)cc3)nn3cccc23)n[nH]1
InChIInChI=1S/C23H24FN7O2/c1-15-14-19(28-27-15)25-22-18-4-2-11-31(18)29-23(26-22)21(16-6-8-17(24)9-7-16)33-13-12-30-10-3-5-20(30)32/h2,4,6-9,11,14,21H,3,5,10,12-13H2,1H3,(H2,25,26,27,28,29)
InChIKeyMBYFWRSBPSPGRW-UHFFFAOYSA-N
MW449.49 g/mol
LogP3.37
Rot. Bonds8

About 1-[2-[(4-fluorophenyl)-[4-[(5-methyl-1H-pyrazol-3-yl)amino]pyrrolo[2,1-f][1,2,4]triazin-2-yl]methoxy]ethyl]pyrrolidin-2-one

1-[2-[(4-fluorophenyl)-[4-[(5-methyl-1H-pyrazol-3-yl)amino]pyrrolo[2,1-f][1,2,4]triazin-2-yl]methoxy]ethyl]pyrrolidin-2-one (PubChem CID 45101419) has the molecular formula C23H24FN7O2 and a molecular weight of 449.49 g/mol. Its IUPAC name is 1-[2-[(4-fluorophenyl)-[4-[(5-methyl-1H-pyrazol-3-yl)amino]pyrrolo[2,1-f][1,2,4]triazin-2-yl]methoxy]ethyl]pyrrolidin-2-one.

Molecular Properties

Compound Name1-[2-[(4-fluorophenyl)-[4-[(5-methyl-1H-pyrazol-3-yl)amino]pyrrolo[2,1-f][1,2,4]triazin-2-yl]methoxy]ethyl]pyrrolidin-2-one
PubChem CID45101419
Molecular FormulaC23H24FN7O2
Molecular Weight449.49 g/mol
Exact Mass449.20
IUPAC Name1-[2-[(4-fluorophenyl)-[4-[(5-methyl-1H-pyrazol-3-yl)amino]pyrrolo[2,1-f][1,2,4]triazin-2-yl]methoxy]ethyl]pyrrolidin-2-one
SMILESCc1cc(Nc2nc(C(OCCN3CCCC3=O)c3ccc(F)cc3)nn3cccc23)n[nH]1
InChIInChI=1S/C23H24FN7O2/c1-15-14-19(28-27-15)25-22-18-4-2-11-31(18)29-23(26-22)21(16-6-8-17(24)9-7-16)33-13-12-30-10-3-5-20(30)32/h2,4,6-9,11,14,21H,3,5,10,12-13H2,1H3,(H2,25,26,27,28,29)
InChIKeyMBYFWRSBPSPGRW-UHFFFAOYSA-N
XLogP3.37
TPSA100.44 Ų
H-Bond Donors2
H-Bond Acceptors7
Rotatable Bonds8
Heavy Atoms33
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500449.49
LogP ≤ 53.37
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 107

Analyze 1-[2-[(4-fluorophenyl)-[4-[(5-methyl-1H-pyrazol-3-yl)amino]pyrrolo[2,1-f][1,2,4]triazin-2-yl]methoxy]ethyl]pyrrolidin-2-one with MolForge

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Related Compounds

N-(1H-indazol-3-yl)-7,7-dimethyl-2-(2-methylpyrazol-3-yl)-5H-furo[3,4-d]pyrimidin-4-amine
CID 92132733
2-(2,6-Difluoro-4-Methoxyphenyl)-1-(4-{4-[(3-Methyl-1h-Pyrazol-5-Yl)amino]pyrrolo[2,1-F][1,2,4]triazin-2-Yl}piperazin-1-Yl)ethanone
CID 49859752
N-(6-fluoro-1H-indazol-3-yl)-7,7-dimethyl-2-(1H-pyrazol-4-yl)-5H-furo[3,4-d]pyrimidin-4-amine
CID 127028015
N-(5-fluoro-1H-indazol-3-yl)-7,7-dimethyl-2-(1H-pyrazol-4-yl)-5H-furo[3,4-d]pyrimidin-4-amine
CID 127028016
N-(4-fluoro-1H-indazol-3-yl)-7,7-dimethyl-2-(1H-pyrazol-4-yl)-5H-furo[3,4-d]pyrimidin-4-amine
CID 127028017
N-(1H-indol-3-yl)-7,7-dimethyl-2-(1H-pyrazol-4-yl)-5H-furo[3,4-d]pyrimidin-4-amine
CID 127028337
N-(7-fluoro-1-methylindazol-3-yl)-7,7-dimethyl-2-(1H-pyrazol-4-yl)-5H-furo[3,4-d]pyrimidin-4-amine
CID 127028681
N-(1H-indazol-3-yl)-7,7-dimethyl-2-(2H-triazol-4-yl)-5H-furo[3,4-d]pyrimidin-4-amine
CID 127028993
N-(1H-indazol-3-yl)-7,7-dimethyl-2-(1H-pyrazol-5-yl)-5H-furo[3,4-d]pyrimidin-4-amine
CID 127028995
[(1S)-2-(dimethylamino)-1-phenylethyl] 3-[(5-fluoropyrimidin-4-yl)amino]-6,6-dimethyl-1,4-dihydropyrrolo[3,4-d]pyrazole-5-carboxylate
CID 59474150
[(1S)-2-(dimethylamino)-1-phenylethyl] 3-[(2-ethoxy-5-fluoropyrimidin-4-yl)amino]-6,6-dimethyl-1,4-dihydropyrrolo[3,4-d]pyrazole-5-carboxylate
CID 59474168
[(1S)-2-(dimethylamino)-1-phenylethyl] 3-[(2-cyanopyrimidin-4-yl)amino]-6,6-dimethyl-1,4-dihydropyrrolo[3,4-d]pyrazole-5-carboxylate
CID 59474178

Frequently Asked Questions

What is the IUPAC name of 1-[2-[(4-fluorophenyl)-[4-[(5-methyl-1H-pyrazol-3-yl)amino]pyrrolo[2,1-f][1,2,4]triazin-2-yl]methoxy]ethyl]pyrrolidin-2-one?
The IUPAC name of 1-[2-[(4-fluorophenyl)-[4-[(5-methyl-1H-pyrazol-3-yl)amino]pyrrolo[2,1-f][1,2,4]triazin-2-yl]methoxy]ethyl]pyrrolidin-2-one (CID 45101419) is 1-[2-[(4-fluorophenyl)-[4-[(5-methyl-1H-pyrazol-3-yl)amino]pyrrolo[2,1-f][1,2,4]triazin-2-yl]methoxy]ethyl]pyrrolidin-2-one.
What is the SMILES notation for 1-[2-[(4-fluorophenyl)-[4-[(5-methyl-1H-pyrazol-3-yl)amino]pyrrolo[2,1-f][1,2,4]triazin-2-yl]methoxy]ethyl]pyrrolidin-2-one?
The canonical SMILES for 1-[2-[(4-fluorophenyl)-[4-[(5-methyl-1H-pyrazol-3-yl)amino]pyrrolo[2,1-f][1,2,4]triazin-2-yl]methoxy]ethyl]pyrrolidin-2-one is Cc1cc(Nc2nc(C(OCCN3CCCC3=O)c3ccc(F)cc3)nn3cccc23)n[nH]1.
What is the InChIKey of 1-[2-[(4-fluorophenyl)-[4-[(5-methyl-1H-pyrazol-3-yl)amino]pyrrolo[2,1-f][1,2,4]triazin-2-yl]methoxy]ethyl]pyrrolidin-2-one?
The InChIKey is MBYFWRSBPSPGRW-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H24FN7O2/c1-15-14-19(28-27-15)25-22-18-4-2-11-31(18)29-23(26-22)21(16-6-8-17(24)9-7-16)33-13-12-30-10-3-5-20(30)32/h2,4,6-9,11,14,21H,3,5,10,12-13H2,1H3,(H2,25,26,27,28,29).
What are the key properties of 1-[2-[(4-fluorophenyl)-[4-[(5-methyl-1H-pyrazol-3-yl)amino]pyrrolo[2,1-f][1,2,4]triazin-2-yl]methoxy]ethyl]pyrrolidin-2-one?
1-[2-[(4-fluorophenyl)-[4-[(5-methyl-1H-pyrazol-3-yl)amino]pyrrolo[2,1-f][1,2,4]triazin-2-yl]methoxy]ethyl]pyrrolidin-2-one has a molecular weight of 449.49 g/mol, XLogP of 3.37, 8 rotatable bonds, 2 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[2-[(4-fluorophenyl)-[4-[(5-methyl-1H-pyrazol-3-yl)amino]pyrrolo[2,1-f][1,2,4]triazin-2-yl]methoxy]ethyl]pyrrolidin-2-one is sourced from PubChem (CID 45101419), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).