1-[2-[[7-fluoro-3-[(1S)-1-(pyrazolo[1,5-a]pyrimidin-7-ylamino)ethyl]quinolin-2-yl]amino]ethyl]imidazolidin-2-one

C22H23FN8O — CID 46871211

IUPAC1-[2-[[7-fluoro-3-[(1S)-1-(pyrazolo[1,5-a]pyrimidin-7-ylamino)ethyl]quinolin-2-yl]amino]ethyl]imidazolidin-2-one
SMILESC[C@H](Nc1ccnc2ccnn12)c1cc2ccc(F)cc2nc1NCCN1CCNC1=O
InChIInChI=1S/C22H23FN8O/c1-14(28-20-4-6-24-19-5-7-27-31(19)20)17-12-15-2-3-16(23)13-18(15)29-21(17)25-8-10-30-11-9-26-22(30)32/h2-7,12-14,28H,8-11H2,1H3,(H,25,29)(H,26,32)/t14-/m0/s1
InChIKeyWEPDFMRBLYMCII-AWEZNQCLSA-N
MW434.48 g/mol
LogP3.03
Rot. Bonds7

About 1-[2-[[7-fluoro-3-[(1S)-1-(pyrazolo[1,5-a]pyrimidin-7-ylamino)ethyl]quinolin-2-yl]amino]ethyl]imidazolidin-2-one

1-[2-[[7-fluoro-3-[(1S)-1-(pyrazolo[1,5-a]pyrimidin-7-ylamino)ethyl]quinolin-2-yl]amino]ethyl]imidazolidin-2-one (PubChem CID 46871211) has the molecular formula C22H23FN8O and a molecular weight of 434.48 g/mol. Its IUPAC name is 1-[2-[[7-fluoro-3-[(1S)-1-(pyrazolo[1,5-a]pyrimidin-7-ylamino)ethyl]quinolin-2-yl]amino]ethyl]imidazolidin-2-one.

Molecular Properties

Compound Name1-[2-[[7-fluoro-3-[(1S)-1-(pyrazolo[1,5-a]pyrimidin-7-ylamino)ethyl]quinolin-2-yl]amino]ethyl]imidazolidin-2-one
PubChem CID46871211
Molecular FormulaC22H23FN8O
Molecular Weight434.48 g/mol
Exact Mass434.20
IUPAC Name1-[2-[[7-fluoro-3-[(1S)-1-(pyrazolo[1,5-a]pyrimidin-7-ylamino)ethyl]quinolin-2-yl]amino]ethyl]imidazolidin-2-one
SMILESC[C@H](Nc1ccnc2ccnn12)c1cc2ccc(F)cc2nc1NCCN1CCNC1=O
InChIInChI=1S/C22H23FN8O/c1-14(28-20-4-6-24-19-5-7-27-31(19)20)17-12-15-2-3-16(23)13-18(15)29-21(17)25-8-10-30-11-9-26-22(30)32/h2-7,12-14,28H,8-11H2,1H3,(H,25,29)(H,26,32)/t14-/m0/s1
InChIKeyWEPDFMRBLYMCII-AWEZNQCLSA-N
XLogP3.03
TPSA99.48 Ų
H-Bond Donors3
H-Bond Acceptors7
Rotatable Bonds7
Heavy Atoms32
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500434.48
LogP ≤ 53.03
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 107

Analyze 1-[2-[[7-fluoro-3-[(1S)-1-(pyrazolo[1,5-a]pyrimidin-7-ylamino)ethyl]quinolin-2-yl]amino]ethyl]imidazolidin-2-one with MolForge

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

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of 1-[2-[[7-fluoro-3-[(1S)-1-(pyrazolo[1,5-a]pyrimidin-7-ylamino)ethyl]quinolin-2-yl]amino]ethyl]imidazolidin-2-one?
The IUPAC name of 1-[2-[[7-fluoro-3-[(1S)-1-(pyrazolo[1,5-a]pyrimidin-7-ylamino)ethyl]quinolin-2-yl]amino]ethyl]imidazolidin-2-one (CID 46871211) is 1-[2-[[7-fluoro-3-[(1S)-1-(pyrazolo[1,5-a]pyrimidin-7-ylamino)ethyl]quinolin-2-yl]amino]ethyl]imidazolidin-2-one.
What is the SMILES notation for 1-[2-[[7-fluoro-3-[(1S)-1-(pyrazolo[1,5-a]pyrimidin-7-ylamino)ethyl]quinolin-2-yl]amino]ethyl]imidazolidin-2-one?
The canonical SMILES for 1-[2-[[7-fluoro-3-[(1S)-1-(pyrazolo[1,5-a]pyrimidin-7-ylamino)ethyl]quinolin-2-yl]amino]ethyl]imidazolidin-2-one is C[C@H](Nc1ccnc2ccnn12)c1cc2ccc(F)cc2nc1NCCN1CCNC1=O.
What is the InChIKey of 1-[2-[[7-fluoro-3-[(1S)-1-(pyrazolo[1,5-a]pyrimidin-7-ylamino)ethyl]quinolin-2-yl]amino]ethyl]imidazolidin-2-one?
The InChIKey is WEPDFMRBLYMCII-AWEZNQCLSA-N. The full InChI is InChI=1S/C22H23FN8O/c1-14(28-20-4-6-24-19-5-7-27-31(19)20)17-12-15-2-3-16(23)13-18(15)29-21(17)25-8-10-30-11-9-26-22(30)32/h2-7,12-14,28H,8-11H2,1H3,(H,25,29)(H,26,32)/t14-/m0/s1.
What are the key properties of 1-[2-[[7-fluoro-3-[(1S)-1-(pyrazolo[1,5-a]pyrimidin-7-ylamino)ethyl]quinolin-2-yl]amino]ethyl]imidazolidin-2-one?
1-[2-[[7-fluoro-3-[(1S)-1-(pyrazolo[1,5-a]pyrimidin-7-ylamino)ethyl]quinolin-2-yl]amino]ethyl]imidazolidin-2-one has a molecular weight of 434.48 g/mol, XLogP of 3.03, 7 rotatable bonds, 3 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[2-[[7-fluoro-3-[(1S)-1-(pyrazolo[1,5-a]pyrimidin-7-ylamino)ethyl]quinolin-2-yl]amino]ethyl]imidazolidin-2-one is sourced from PubChem (CID 46871211), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).