1-[2-chloro-4-[5-fluoro-2-hydroxy-3-(4-piperazin-1-yl-1H-indazol-6-yl)phenyl]phenyl]-3-methylimidazolidin-2-one

C27H26ClFN6O2 — CID 166165712

IUPAC1-[2-chloro-4-[5-fluoro-2-hydroxy-3-(4-piperazin-1-yl-1H-indazol-6-yl)phenyl]phenyl]-3-methylimidazolidin-2-one
SMILESCN1CCN(c2ccc(-c3cc(F)cc(-c4cc(N5CCNCC5)c5cn[nH]c5c4)c3O)cc2Cl)C1=O
InChIInChI=1S/C27H26ClFN6O2/c1-33-8-9-35(27(33)37)24-3-2-16(10-22(24)28)19-13-18(29)14-20(26(19)36)17-11-23-21(15-31-32-23)25(12-17)34-6-4-30-5-7-34/h2-3,10-15,30,36H,4-9H2,1H3,(H,31,32)
InChIKeyMUMAGFVHNVBMJI-UHFFFAOYSA-N
MW521.00 g/mol
LogP4.68
Rot. Bonds4

About 1-[2-chloro-4-[5-fluoro-2-hydroxy-3-(4-piperazin-1-yl-1H-indazol-6-yl)phenyl]phenyl]-3-methylimidazolidin-2-one

1-[2-chloro-4-[5-fluoro-2-hydroxy-3-(4-piperazin-1-yl-1H-indazol-6-yl)phenyl]phenyl]-3-methylimidazolidin-2-one (PubChem CID 166165712) has the molecular formula C27H26ClFN6O2 and a molecular weight of 521.00 g/mol. Its IUPAC name is 1-[2-chloro-4-[5-fluoro-2-hydroxy-3-(4-piperazin-1-yl-1H-indazol-6-yl)phenyl]phenyl]-3-methylimidazolidin-2-one.

Molecular Properties

Compound Name1-[2-chloro-4-[5-fluoro-2-hydroxy-3-(4-piperazin-1-yl-1H-indazol-6-yl)phenyl]phenyl]-3-methylimidazolidin-2-one
PubChem CID166165712
Molecular FormulaC27H26ClFN6O2
Molecular Weight521.00 g/mol
Exact Mass520.18
IUPAC Name1-[2-chloro-4-[5-fluoro-2-hydroxy-3-(4-piperazin-1-yl-1H-indazol-6-yl)phenyl]phenyl]-3-methylimidazolidin-2-one
SMILESCN1CCN(c2ccc(-c3cc(F)cc(-c4cc(N5CCNCC5)c5cn[nH]c5c4)c3O)cc2Cl)C1=O
InChIInChI=1S/C27H26ClFN6O2/c1-33-8-9-35(27(33)37)24-3-2-16(10-22(24)28)19-13-18(29)14-20(26(19)36)17-11-23-21(15-31-32-23)25(12-17)34-6-4-30-5-7-34/h2-3,10-15,30,36H,4-9H2,1H3,(H,31,32)
InChIKeyMUMAGFVHNVBMJI-UHFFFAOYSA-N
XLogP4.68
TPSA87.73 Ų
H-Bond Donors3
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms37
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500521.00
LogP ≤ 54.68
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 1-[2-chloro-4-[5-fluoro-2-hydroxy-3-(4-piperazin-1-yl-1H-indazol-6-yl)phenyl]phenyl]-3-methylimidazolidin-2-one?
The IUPAC name of 1-[2-chloro-4-[5-fluoro-2-hydroxy-3-(4-piperazin-1-yl-1H-indazol-6-yl)phenyl]phenyl]-3-methylimidazolidin-2-one (CID 166165712) is 1-[2-chloro-4-[5-fluoro-2-hydroxy-3-(4-piperazin-1-yl-1H-indazol-6-yl)phenyl]phenyl]-3-methylimidazolidin-2-one.
What is the SMILES notation for 1-[2-chloro-4-[5-fluoro-2-hydroxy-3-(4-piperazin-1-yl-1H-indazol-6-yl)phenyl]phenyl]-3-methylimidazolidin-2-one?
The canonical SMILES for 1-[2-chloro-4-[5-fluoro-2-hydroxy-3-(4-piperazin-1-yl-1H-indazol-6-yl)phenyl]phenyl]-3-methylimidazolidin-2-one is CN1CCN(c2ccc(-c3cc(F)cc(-c4cc(N5CCNCC5)c5cn[nH]c5c4)c3O)cc2Cl)C1=O.
What is the InChIKey of 1-[2-chloro-4-[5-fluoro-2-hydroxy-3-(4-piperazin-1-yl-1H-indazol-6-yl)phenyl]phenyl]-3-methylimidazolidin-2-one?
The InChIKey is MUMAGFVHNVBMJI-UHFFFAOYSA-N. The full InChI is InChI=1S/C27H26ClFN6O2/c1-33-8-9-35(27(33)37)24-3-2-16(10-22(24)28)19-13-18(29)14-20(26(19)36)17-11-23-21(15-31-32-23)25(12-17)34-6-4-30-5-7-34/h2-3,10-15,30,36H,4-9H2,1H3,(H,31,32).
What are the key properties of 1-[2-chloro-4-[5-fluoro-2-hydroxy-3-(4-piperazin-1-yl-1H-indazol-6-yl)phenyl]phenyl]-3-methylimidazolidin-2-one?
1-[2-chloro-4-[5-fluoro-2-hydroxy-3-(4-piperazin-1-yl-1H-indazol-6-yl)phenyl]phenyl]-3-methylimidazolidin-2-one has a molecular weight of 521.00 g/mol, XLogP of 4.68, 4 rotatable bonds, 3 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[2-chloro-4-[5-fluoro-2-hydroxy-3-(4-piperazin-1-yl-1H-indazol-6-yl)phenyl]phenyl]-3-methylimidazolidin-2-one is sourced from PubChem (CID 166165712), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).