N-[2-[4-[4-[4-(6-fluoro-5H-imidazo[5,1-a]isoindol-5-yl)piperidin-1-yl]phenyl]pyrazol-1-yl]ethyl]acetamide

C28H29FN6O — CID 122650583

IUPACN-[2-[4-[4-[4-(6-fluoro-5H-imidazo[5,1-a]isoindol-5-yl)piperidin-1-yl]phenyl]pyrazol-1-yl]ethyl]acetamide
SMILESCC(=O)NCCn1cc(-c2ccc(N3CCC(C4c5c(F)cccc5-c5cncn54)CC3)cc2)cn1
InChIInChI=1S/C28H29FN6O/c1-19(36)31-11-14-34-17-22(15-32-34)20-5-7-23(8-6-20)33-12-9-21(10-13-33)28-27-24(3-2-4-25(27)29)26-16-30-18-35(26)28/h2-8,15-18,21,28H,9-14H2,1H3,(H,31,36)
InChIKeyNDLPMYFSSFPRIL-UHFFFAOYSA-N
MW484.58 g/mol
LogP4.51
Rot. Bonds6

About N-[2-[4-[4-[4-(6-fluoro-5H-imidazo[5,1-a]isoindol-5-yl)piperidin-1-yl]phenyl]pyrazol-1-yl]ethyl]acetamide

N-[2-[4-[4-[4-(6-fluoro-5H-imidazo[5,1-a]isoindol-5-yl)piperidin-1-yl]phenyl]pyrazol-1-yl]ethyl]acetamide (PubChem CID 122650583) has the molecular formula C28H29FN6O and a molecular weight of 484.58 g/mol. Its IUPAC name is N-[2-[4-[4-[4-(6-fluoro-5H-imidazo[5,1-a]isoindol-5-yl)piperidin-1-yl]phenyl]pyrazol-1-yl]ethyl]acetamide.

Molecular Properties

Compound NameN-[2-[4-[4-[4-(6-fluoro-5H-imidazo[5,1-a]isoindol-5-yl)piperidin-1-yl]phenyl]pyrazol-1-yl]ethyl]acetamide
PubChem CID122650583
Molecular FormulaC28H29FN6O
Molecular Weight484.58 g/mol
Exact Mass484.24
IUPAC NameN-[2-[4-[4-[4-(6-fluoro-5H-imidazo[5,1-a]isoindol-5-yl)piperidin-1-yl]phenyl]pyrazol-1-yl]ethyl]acetamide
SMILESCC(=O)NCCn1cc(-c2ccc(N3CCC(C4c5c(F)cccc5-c5cncn54)CC3)cc2)cn1
InChIInChI=1S/C28H29FN6O/c1-19(36)31-11-14-34-17-22(15-32-34)20-5-7-23(8-6-20)33-12-9-21(10-13-33)28-27-24(3-2-4-25(27)29)26-16-30-18-35(26)28/h2-8,15-18,21,28H,9-14H2,1H3,(H,31,36)
InChIKeyNDLPMYFSSFPRIL-UHFFFAOYSA-N
XLogP4.51
TPSA67.98 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds6
Heavy Atoms36
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500484.58
LogP ≤ 54.51
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Related Compounds

Ido/tdo-IN-1
CID 122650373
1-(2-{4-[1-(4-Fluoro-phenyl)-5-(1-methyl-1H-[1,2,4]triazol-3-yl)-1H-indol-3-yl]-piperidin-1-yl}-ethyl)-imidazolidin-2-one
CID 10917920
1-(2-{4-[1-(4-Fluoro-phenyl)-5-(1-methyl-1H-pyrazol-3-yl)-1H-indol-3-yl]-piperidin-1-yl}-ethyl)-imidazolidin-2-one
CID 11049209
3-tert-butyl-N-[[2-methyl-4-[2-[(1-methylpyrazol-4-yl)amino]pyrimidin-4-yl]phenyl]methyl]pyrrolidine-1-carboxamide
CID 118139435
N-[2-[2-[(1-methylpyrazol-4-yl)amino]pyrimidin-4-yl]-6,7,8,9-tetrahydro-5H-benzo[7]annulen-5-yl]-3-propan-2-ylpyrrolidine-1-carboxamide
CID 118139808
(6S)-7-[(3,4-difluorophenyl)methyl]-6-methyl-2-[5-methyl-2-[(2-methylpyrazol-3-yl)amino]pyrimidin-4-yl]-5,6-dihydroimidazo[1,2-a]pyrazin-8-one
CID 129136448
Pyrrolidinyl urea derivative 13
CID 71471488
1-(2-{4-[1-(4-Fluoro-phenyl)-5-(2-methyl-2H-[1,2,4]triazol-3-yl)-1H-indol-3-yl]-piperidin-1-yl}-ethyl)-imidazolidin-2-one
CID 11092142
1-(2-{4-[1-(4-Fluoro-phenyl)-5-(1-methyl-1H-imidazol-2-yl)-1H-indol-3-yl]-piperidin-1-yl}-ethyl)-imidazolidin-2-one
CID 10896220
1-(2-{4-[1-(4-Fluoro-phenyl)-5-(2-methyl-2H-pyrazol-3-yl)-1H-indol-3-yl]-piperidin-1-yl}-ethyl)-imidazolidin-2-one
CID 11016395
1-(2-{4-[1-(4-Fluoro-phenyl)-5-(1-methyl-1H-pyrazol-4-yl)-1H-indol-3-yl]-piperidin-1-yl}-ethyl)-imidazolidin-2-one
CID 11812916
N-(5-(4-(cyclopropylamino)-1-methyl-1H-pyrazolo[5,1-b]purin-7-yl)-2-fluorobenzyl)acetamide
CID 44573281

Frequently Asked Questions

What is the IUPAC name of N-[2-[4-[4-[4-(6-fluoro-5H-imidazo[5,1-a]isoindol-5-yl)piperidin-1-yl]phenyl]pyrazol-1-yl]ethyl]acetamide?
The IUPAC name of N-[2-[4-[4-[4-(6-fluoro-5H-imidazo[5,1-a]isoindol-5-yl)piperidin-1-yl]phenyl]pyrazol-1-yl]ethyl]acetamide (CID 122650583) is N-[2-[4-[4-[4-(6-fluoro-5H-imidazo[5,1-a]isoindol-5-yl)piperidin-1-yl]phenyl]pyrazol-1-yl]ethyl]acetamide.
What is the SMILES notation for N-[2-[4-[4-[4-(6-fluoro-5H-imidazo[5,1-a]isoindol-5-yl)piperidin-1-yl]phenyl]pyrazol-1-yl]ethyl]acetamide?
The canonical SMILES for N-[2-[4-[4-[4-(6-fluoro-5H-imidazo[5,1-a]isoindol-5-yl)piperidin-1-yl]phenyl]pyrazol-1-yl]ethyl]acetamide is CC(=O)NCCn1cc(-c2ccc(N3CCC(C4c5c(F)cccc5-c5cncn54)CC3)cc2)cn1.
What is the InChIKey of N-[2-[4-[4-[4-(6-fluoro-5H-imidazo[5,1-a]isoindol-5-yl)piperidin-1-yl]phenyl]pyrazol-1-yl]ethyl]acetamide?
The InChIKey is NDLPMYFSSFPRIL-UHFFFAOYSA-N. The full InChI is InChI=1S/C28H29FN6O/c1-19(36)31-11-14-34-17-22(15-32-34)20-5-7-23(8-6-20)33-12-9-21(10-13-33)28-27-24(3-2-4-25(27)29)26-16-30-18-35(26)28/h2-8,15-18,21,28H,9-14H2,1H3,(H,31,36).
What are the key properties of N-[2-[4-[4-[4-(6-fluoro-5H-imidazo[5,1-a]isoindol-5-yl)piperidin-1-yl]phenyl]pyrazol-1-yl]ethyl]acetamide?
N-[2-[4-[4-[4-(6-fluoro-5H-imidazo[5,1-a]isoindol-5-yl)piperidin-1-yl]phenyl]pyrazol-1-yl]ethyl]acetamide has a molecular weight of 484.58 g/mol, XLogP of 4.51, 6 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-[4-[4-[4-(6-fluoro-5H-imidazo[5,1-a]isoindol-5-yl)piperidin-1-yl]phenyl]pyrazol-1-yl]ethyl]acetamide is sourced from PubChem (CID 122650583), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).