1-[4-(4-amino-7-propan-2-yl-1,2,3,4-tetrahydropyrrolo[2,3-d]pyrimidin-5-yl)-3-fluorophenyl]-4-(2,5-difluorophenyl)-3-ethylimidazolidin-2-one

C26H29F3N6O — CID 126708251

IUPAC1-[4-(4-amino-7-propan-2-yl-1,2,3,4-tetrahydropyrrolo[2,3-d]pyrimidin-5-yl)-3-fluorophenyl]-4-(2,5-difluorophenyl)-3-ethylimidazolidin-2-one
SMILESCCN1C(=O)N(c2ccc(-c3cn(C(C)C)c4c3C(N)NCN4)c(F)c2)CC1c1cc(F)ccc1F
InChIInChI=1S/C26H29F3N6O/c1-4-33-22(18-9-15(27)5-8-20(18)28)12-35(26(33)36)16-6-7-17(21(29)10-16)19-11-34(14(2)3)25-23(19)24(30)31-13-32-25/h5-11,14,22,24,31-32H,4,12-13,30H2,1-3H3
InChIKeySQSPBZBTRYCUAX-UHFFFAOYSA-N
MW498.55 g/mol
LogP5.09
Rot. Bonds5

About 1-[4-(4-amino-7-propan-2-yl-1,2,3,4-tetrahydropyrrolo[2,3-d]pyrimidin-5-yl)-3-fluorophenyl]-4-(2,5-difluorophenyl)-3-ethylimidazolidin-2-one

1-[4-(4-amino-7-propan-2-yl-1,2,3,4-tetrahydropyrrolo[2,3-d]pyrimidin-5-yl)-3-fluorophenyl]-4-(2,5-difluorophenyl)-3-ethylimidazolidin-2-one (PubChem CID 126708251) has the molecular formula C26H29F3N6O and a molecular weight of 498.55 g/mol. Its IUPAC name is 1-[4-(4-amino-7-propan-2-yl-1,2,3,4-tetrahydropyrrolo[2,3-d]pyrimidin-5-yl)-3-fluorophenyl]-4-(2,5-difluorophenyl)-3-ethylimidazolidin-2-one.

Molecular Properties

Compound Name1-[4-(4-amino-7-propan-2-yl-1,2,3,4-tetrahydropyrrolo[2,3-d]pyrimidin-5-yl)-3-fluorophenyl]-4-(2,5-difluorophenyl)-3-ethylimidazolidin-2-one
PubChem CID126708251
Molecular FormulaC26H29F3N6O
Molecular Weight498.55 g/mol
Exact Mass498.24
IUPAC Name1-[4-(4-amino-7-propan-2-yl-1,2,3,4-tetrahydropyrrolo[2,3-d]pyrimidin-5-yl)-3-fluorophenyl]-4-(2,5-difluorophenyl)-3-ethylimidazolidin-2-one
SMILESCCN1C(=O)N(c2ccc(-c3cn(C(C)C)c4c3C(N)NCN4)c(F)c2)CC1c1cc(F)ccc1F
InChIInChI=1S/C26H29F3N6O/c1-4-33-22(18-9-15(27)5-8-20(18)28)12-35(26(33)36)16-6-7-17(21(29)10-16)19-11-34(14(2)3)25-23(19)24(30)31-13-32-25/h5-11,14,22,24,31-32H,4,12-13,30H2,1-3H3
InChIKeySQSPBZBTRYCUAX-UHFFFAOYSA-N
XLogP5.09
TPSA78.56 Ų
H-Bond Donors3
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms36
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500498.55
LogP ≤ 55.09
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 105

Analyze 1-[4-(4-amino-7-propan-2-yl-1,2,3,4-tetrahydropyrrolo[2,3-d]pyrimidin-5-yl)-3-fluorophenyl]-4-(2,5-difluorophenyl)-3-ethylimidazolidin-2-one with MolForge

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Related Compounds

1-[4-(4-amino-7H-pyrrolo[2,3-d]pyrimidin-5-yl)-3-fluorophenyl]-4-(2,4-difluorophenyl)-3-ethylimidazolidin-2-one
CID 145275615
1-[4-(4-amino-6,7-dimethylpyrrolo[2,3-d]pyrimidin-5-yl)-3-fluorophenyl]-4-(2,5-difluorophenyl)-3-methylimidazolidin-2-one
CID 126696692
1-[4-(4-amino-7-cyclopropyl-2-methylpyrrolo[2,3-d]pyrimidin-5-yl)-3-fluorophenyl]-4-(4-fluorophenyl)-3-methylimidazolidin-2-one
CID 126696984
(8R)-4-amino-6-[4-(2,4-difluorophenyl)-3-fluorophenyl]-8-methyl-7,8-dihydropyrimido[5,4-f][1,4]oxazepin-5-one
CID 58464417
4-(2,5-difluorophenyl)-1-(4-fluorophenyl)-3-methyl-4,8-dihydropyrazolo[5,4-e][1,4]thiazepin-7-one
CID 135823545
5-(2,5-difluorophenyl)-1-(4-fluorophenyl)-4,5-dihydroimidazol-2-amine
CID 79499543
1-[4-(4-amino-7-methylpyrrolo[2,3-d]pyrimidin-5-yl)-3-fluorophenyl]-4-(3,5-difluorophenyl)-3-methylimidazolidin-2-one
CID 126696728
1-[4-(4-amino-7-cyclopropylpyrrolo[2,3-d]pyrimidin-5-yl)-3-fluorophenyl]-3-methyl-4-(2,4,5-trifluorophenyl)imidazolidin-2-one
CID 126696784
5-(2,5-difluorophenyl)-N,1-dimethylpyrrolidin-3-amine
CID 129068214
(2R)-2-(2,5-difluorophenyl)-1-propan-2-ylpyrrolidine
CID 166802320
(3S,5R)-5-(2,5-difluorophenyl)-1-[(1-propan-2-ylpyrazol-4-yl)methyl]pyrrolidin-3-ol
CID 129398125
1-[4-fluoro-3-[4-(1-hydroxybutan-2-yl)piperazine-1-carbonyl]phenyl]imidazolidin-2-one
CID 136516507

Frequently Asked Questions

What is the IUPAC name of 1-[4-(4-amino-7-propan-2-yl-1,2,3,4-tetrahydropyrrolo[2,3-d]pyrimidin-5-yl)-3-fluorophenyl]-4-(2,5-difluorophenyl)-3-ethylimidazolidin-2-one?
The IUPAC name of 1-[4-(4-amino-7-propan-2-yl-1,2,3,4-tetrahydropyrrolo[2,3-d]pyrimidin-5-yl)-3-fluorophenyl]-4-(2,5-difluorophenyl)-3-ethylimidazolidin-2-one (CID 126708251) is 1-[4-(4-amino-7-propan-2-yl-1,2,3,4-tetrahydropyrrolo[2,3-d]pyrimidin-5-yl)-3-fluorophenyl]-4-(2,5-difluorophenyl)-3-ethylimidazolidin-2-one.
What is the SMILES notation for 1-[4-(4-amino-7-propan-2-yl-1,2,3,4-tetrahydropyrrolo[2,3-d]pyrimidin-5-yl)-3-fluorophenyl]-4-(2,5-difluorophenyl)-3-ethylimidazolidin-2-one?
The canonical SMILES for 1-[4-(4-amino-7-propan-2-yl-1,2,3,4-tetrahydropyrrolo[2,3-d]pyrimidin-5-yl)-3-fluorophenyl]-4-(2,5-difluorophenyl)-3-ethylimidazolidin-2-one is CCN1C(=O)N(c2ccc(-c3cn(C(C)C)c4c3C(N)NCN4)c(F)c2)CC1c1cc(F)ccc1F.
What is the InChIKey of 1-[4-(4-amino-7-propan-2-yl-1,2,3,4-tetrahydropyrrolo[2,3-d]pyrimidin-5-yl)-3-fluorophenyl]-4-(2,5-difluorophenyl)-3-ethylimidazolidin-2-one?
The InChIKey is SQSPBZBTRYCUAX-UHFFFAOYSA-N. The full InChI is InChI=1S/C26H29F3N6O/c1-4-33-22(18-9-15(27)5-8-20(18)28)12-35(26(33)36)16-6-7-17(21(29)10-16)19-11-34(14(2)3)25-23(19)24(30)31-13-32-25/h5-11,14,22,24,31-32H,4,12-13,30H2,1-3H3.
What are the key properties of 1-[4-(4-amino-7-propan-2-yl-1,2,3,4-tetrahydropyrrolo[2,3-d]pyrimidin-5-yl)-3-fluorophenyl]-4-(2,5-difluorophenyl)-3-ethylimidazolidin-2-one?
1-[4-(4-amino-7-propan-2-yl-1,2,3,4-tetrahydropyrrolo[2,3-d]pyrimidin-5-yl)-3-fluorophenyl]-4-(2,5-difluorophenyl)-3-ethylimidazolidin-2-one has a molecular weight of 498.55 g/mol, XLogP of 5.09, 5 rotatable bonds, 3 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[4-(4-amino-7-propan-2-yl-1,2,3,4-tetrahydropyrrolo[2,3-d]pyrimidin-5-yl)-3-fluorophenyl]-4-(2,5-difluorophenyl)-3-ethylimidazolidin-2-one is sourced from PubChem (CID 126708251), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).