1-[2-[(4aS)-3,4,4a,5,6,7-hexahydro-1H-pyrrolo[1,2-c]pyrimidin-2-yl]-2-oxoethyl]-3-[1-(2-fluorophenyl)indazol-4-yl]imidazolidin-2-one

C25H27FN6O2 — CID 118937836

IUPAC1-[2-[(4aS)-3,4,4a,5,6,7-hexahydro-1H-pyrrolo[1,2-c]pyrimidin-2-yl]-2-oxoethyl]-3-[1-(2-fluorophenyl)indazol-4-yl]imidazolidin-2-one
SMILESO=C(CN1CCN(c2cccc3c2cnn3-c2ccccc2F)C1=O)N1CC[C@@H]2CCCN2C1
InChIInChI=1S/C25H27FN6O2/c26-20-6-1-2-7-23(20)32-22-9-3-8-21(19(22)15-27-32)31-14-13-28(25(31)34)16-24(33)30-12-10-18-5-4-11-29(18)17-30/h1-3,6-9,15,18H,4-5,10-14,16-17H2/t18-/m0/s1
InChIKeyJSTOZMDMINBZIM-SFHVURJKSA-N
MW462.53 g/mol
LogP3.06
Rot. Bonds4

About 1-[2-[(4aS)-3,4,4a,5,6,7-hexahydro-1H-pyrrolo[1,2-c]pyrimidin-2-yl]-2-oxoethyl]-3-[1-(2-fluorophenyl)indazol-4-yl]imidazolidin-2-one

1-[2-[(4aS)-3,4,4a,5,6,7-hexahydro-1H-pyrrolo[1,2-c]pyrimidin-2-yl]-2-oxoethyl]-3-[1-(2-fluorophenyl)indazol-4-yl]imidazolidin-2-one (PubChem CID 118937836) has the molecular formula C25H27FN6O2 and a molecular weight of 462.53 g/mol. Its IUPAC name is 1-[2-[(4aS)-3,4,4a,5,6,7-hexahydro-1H-pyrrolo[1,2-c]pyrimidin-2-yl]-2-oxoethyl]-3-[1-(2-fluorophenyl)indazol-4-yl]imidazolidin-2-one.

Molecular Properties

Compound Name1-[2-[(4aS)-3,4,4a,5,6,7-hexahydro-1H-pyrrolo[1,2-c]pyrimidin-2-yl]-2-oxoethyl]-3-[1-(2-fluorophenyl)indazol-4-yl]imidazolidin-2-one
PubChem CID118937836
Molecular FormulaC25H27FN6O2
Molecular Weight462.53 g/mol
Exact Mass462.22
IUPAC Name1-[2-[(4aS)-3,4,4a,5,6,7-hexahydro-1H-pyrrolo[1,2-c]pyrimidin-2-yl]-2-oxoethyl]-3-[1-(2-fluorophenyl)indazol-4-yl]imidazolidin-2-one
SMILESO=C(CN1CCN(c2cccc3c2cnn3-c2ccccc2F)C1=O)N1CC[C@@H]2CCCN2C1
InChIInChI=1S/C25H27FN6O2/c26-20-6-1-2-7-23(20)32-22-9-3-8-21(19(22)15-27-32)31-14-13-28(25(31)34)16-24(33)30-12-10-18-5-4-11-29(18)17-30/h1-3,6-9,15,18H,4-5,10-14,16-17H2/t18-/m0/s1
InChIKeyJSTOZMDMINBZIM-SFHVURJKSA-N
XLogP3.06
TPSA64.92 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms34
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500462.53
LogP ≤ 53.06
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

Analyze 1-[2-[(4aS)-3,4,4a,5,6,7-hexahydro-1H-pyrrolo[1,2-c]pyrimidin-2-yl]-2-oxoethyl]-3-[1-(2-fluorophenyl)indazol-4-yl]imidazolidin-2-one with MolForge

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Related Compounds

1-[1-(2-fluorophenyl)indazol-4-yl]-3-[2-[(3S)-3-fluoropyrrolidin-1-yl]-2-oxoethyl]imidazolidin-2-one
CID 118937760
1-[1-(2-fluorophenyl)indazol-4-yl]-3-[2-(3-hydroxyazetidin-1-yl)-2-oxoethyl]imidazolidin-2-one
CID 118937558
1-[1-(2-fluorophenyl)indazol-4-yl]-3-[2-[(2R)-2-methylpyrrolidin-1-yl]-2-oxoethyl]imidazolidin-2-one
CID 118937893
1-[1-(2-fluorophenyl)indazol-4-yl]-3-[2-[(2S)-2-methylpyrrolidin-1-yl]-2-oxoethyl]imidazolidin-2-one
CID 118937896
1-[1-(2-fluorophenyl)indazol-4-yl]-3-[2-(2-oxa-6-azaspiro[3.3]heptan-6-yl)-2-oxoethyl]imidazolidin-2-one
CID 118937637
1-[1-(2-fluorophenyl)indazol-4-yl]-3-[2-[(2R)-2-(methoxymethyl)pyrrolidin-1-yl]-2-oxoethyl]imidazolidin-2-one
CID 118937676
N-cyclopentyl-2-[3-[1-(2-fluorophenyl)indazol-4-yl]-2-oxoimidazolidin-1-yl]acetamide
CID 118937554
N-tert-butyl-2-[3-[1-(2-fluorophenyl)indazol-4-yl]-2-oxoimidazolidin-1-yl]acetamide
CID 118937690
1-[1-(2-fluorophenyl)indazol-4-yl]-3-[(2S)-2-hydroxybutyl]imidazolidin-2-one
CID 118937567
1-[1-(2-fluorophenyl)indazol-4-yl]-3-[(5-methyl-1,3-thiazol-4-yl)methyl]imidazolidin-2-one
CID 118937757
2-[3-[1-(2-fluorophenyl)indazol-4-yl]-2-oxoimidazolidin-1-yl]-N-[(1R,2S)-2-(2-methylpropoxy)cyclopentyl]acetamide
CID 118937714
1-[1-(2-fluorophenyl)indazol-4-yl]-3-[(5-methyl-1,3-oxazol-2-yl)methyl]imidazolidin-2-one
CID 118937859

Frequently Asked Questions

What is the IUPAC name of 1-[2-[(4aS)-3,4,4a,5,6,7-hexahydro-1H-pyrrolo[1,2-c]pyrimidin-2-yl]-2-oxoethyl]-3-[1-(2-fluorophenyl)indazol-4-yl]imidazolidin-2-one?
The IUPAC name of 1-[2-[(4aS)-3,4,4a,5,6,7-hexahydro-1H-pyrrolo[1,2-c]pyrimidin-2-yl]-2-oxoethyl]-3-[1-(2-fluorophenyl)indazol-4-yl]imidazolidin-2-one (CID 118937836) is 1-[2-[(4aS)-3,4,4a,5,6,7-hexahydro-1H-pyrrolo[1,2-c]pyrimidin-2-yl]-2-oxoethyl]-3-[1-(2-fluorophenyl)indazol-4-yl]imidazolidin-2-one.
What is the SMILES notation for 1-[2-[(4aS)-3,4,4a,5,6,7-hexahydro-1H-pyrrolo[1,2-c]pyrimidin-2-yl]-2-oxoethyl]-3-[1-(2-fluorophenyl)indazol-4-yl]imidazolidin-2-one?
The canonical SMILES for 1-[2-[(4aS)-3,4,4a,5,6,7-hexahydro-1H-pyrrolo[1,2-c]pyrimidin-2-yl]-2-oxoethyl]-3-[1-(2-fluorophenyl)indazol-4-yl]imidazolidin-2-one is O=C(CN1CCN(c2cccc3c2cnn3-c2ccccc2F)C1=O)N1CC[C@@H]2CCCN2C1.
What is the InChIKey of 1-[2-[(4aS)-3,4,4a,5,6,7-hexahydro-1H-pyrrolo[1,2-c]pyrimidin-2-yl]-2-oxoethyl]-3-[1-(2-fluorophenyl)indazol-4-yl]imidazolidin-2-one?
The InChIKey is JSTOZMDMINBZIM-SFHVURJKSA-N. The full InChI is InChI=1S/C25H27FN6O2/c26-20-6-1-2-7-23(20)32-22-9-3-8-21(19(22)15-27-32)31-14-13-28(25(31)34)16-24(33)30-12-10-18-5-4-11-29(18)17-30/h1-3,6-9,15,18H,4-5,10-14,16-17H2/t18-/m0/s1.
What are the key properties of 1-[2-[(4aS)-3,4,4a,5,6,7-hexahydro-1H-pyrrolo[1,2-c]pyrimidin-2-yl]-2-oxoethyl]-3-[1-(2-fluorophenyl)indazol-4-yl]imidazolidin-2-one?
1-[2-[(4aS)-3,4,4a,5,6,7-hexahydro-1H-pyrrolo[1,2-c]pyrimidin-2-yl]-2-oxoethyl]-3-[1-(2-fluorophenyl)indazol-4-yl]imidazolidin-2-one has a molecular weight of 462.53 g/mol, XLogP of 3.06, 4 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[2-[(4aS)-3,4,4a,5,6,7-hexahydro-1H-pyrrolo[1,2-c]pyrimidin-2-yl]-2-oxoethyl]-3-[1-(2-fluorophenyl)indazol-4-yl]imidazolidin-2-one is sourced from PubChem (CID 118937836), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).