cyclopentyl 2-[1-(2-fluorophenyl)indazol-4-yl]-3-oxo-5,6,8,8a-tetrahydro-1H-imidazo[1,5-a]pyrazine-7-carboxylate

C25H26FN5O3 — CID 118937848

IUPACcyclopentyl 2-[1-(2-fluorophenyl)indazol-4-yl]-3-oxo-5,6,8,8a-tetrahydro-1H-imidazo[1,5-a]pyrazine-7-carboxylate
SMILESO=C(OC1CCCC1)N1CCN2C(=O)N(c3cccc4c3cnn4-c3ccccc3F)CC2C1
InChIInChI=1S/C25H26FN5O3/c26-20-8-3-4-9-23(20)31-22-11-5-10-21(19(22)14-27-31)30-16-17-15-28(12-13-29(17)24(30)32)25(33)34-18-6-1-2-7-18/h3-5,8-11,14,17-18H,1-2,6-7,12-13,15-16H2
InChIKeyMKRKFWZPBKDIHT-UHFFFAOYSA-N
MW463.51 g/mol
LogP4.17
Rot. Bonds3

About cyclopentyl 2-[1-(2-fluorophenyl)indazol-4-yl]-3-oxo-5,6,8,8a-tetrahydro-1H-imidazo[1,5-a]pyrazine-7-carboxylate

cyclopentyl 2-[1-(2-fluorophenyl)indazol-4-yl]-3-oxo-5,6,8,8a-tetrahydro-1H-imidazo[1,5-a]pyrazine-7-carboxylate (PubChem CID 118937848) has the molecular formula C25H26FN5O3 and a molecular weight of 463.51 g/mol. Its IUPAC name is cyclopentyl 2-[1-(2-fluorophenyl)indazol-4-yl]-3-oxo-5,6,8,8a-tetrahydro-1H-imidazo[1,5-a]pyrazine-7-carboxylate.

Molecular Properties

Compound Namecyclopentyl 2-[1-(2-fluorophenyl)indazol-4-yl]-3-oxo-5,6,8,8a-tetrahydro-1H-imidazo[1,5-a]pyrazine-7-carboxylate
PubChem CID118937848
Molecular FormulaC25H26FN5O3
Molecular Weight463.51 g/mol
Exact Mass463.20
IUPAC Namecyclopentyl 2-[1-(2-fluorophenyl)indazol-4-yl]-3-oxo-5,6,8,8a-tetrahydro-1H-imidazo[1,5-a]pyrazine-7-carboxylate
SMILESO=C(OC1CCCC1)N1CCN2C(=O)N(c3cccc4c3cnn4-c3ccccc3F)CC2C1
InChIInChI=1S/C25H26FN5O3/c26-20-8-3-4-9-23(20)31-22-11-5-10-21(19(22)14-27-31)30-16-17-15-28(12-13-29(17)24(30)32)25(33)34-18-6-1-2-7-18/h3-5,8-11,14,17-18H,1-2,6-7,12-13,15-16H2
InChIKeyMKRKFWZPBKDIHT-UHFFFAOYSA-N
XLogP4.17
TPSA70.91 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms34
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500463.51
LogP ≤ 54.17
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Related Compounds

1,1,1,3,3,3-Hexafluoropropan-2-yl 4-[bis(1-methylindazol-5-yl)methyl]piperazine-1-carboxylate
CID 71656798
1-[1-(2-fluorophenyl)-1H-indazol-4-yl]-3-[(6-methylpyrazin-2-yl)methyl]imidazolidin-2-one
CID 118937656
2-{3-[1-(2-fluorophenyl)-1H-indazol-4-yl]-2-oxoimidazolidin-1-yl}acetamide
CID 118937664
1-[1-(2-fluorophenyl)-1H-indazol-4-yl]-3-(pyridin-4-yl)imidazolidin-2-one
CID 118937702
1-[1-(2-fluorophenyl)-1H-indazol-4-yl]-3-{2-[(3S)-3-fluoropyrrolidin-1-yl]-2-oxoethyl}imidazolidin-2-one
CID 118937760
N-cyclopropyl-2-{3-[1-(2-fluorophenyl)-1H-indazol-4-yl]-2-oxoimidazolidin-1-yl}acetamide
CID 118937849
1-[1-(2-fluorophenyl)-1H-indazol-4-yl]-3-[2-oxo-2-(pyrrolidin-1-yl)ethyl]imidazolidin-2-one
CID 118937903
tert-butyl 3-[1-(2-fluorophenyl)-1H-indazol-4-yl]-2-oxoimidazolidine-1-carboxylate
CID 118937913
1-[1-(2-fluorophenyl)-1H-indazol-4-yl]-3-(4-methyl-2-oxopentyl)imidazolidin-2-one
CID 118937925
1-[1-(2-fluorophenyl)-1H-indazol-4-yl]-3-{2-[(3R)-3-fluoropyrrolidin-1-yl]-2-oxoethyl}imidazolidin-2-one
CID 118937930
4-[1-(2-fluorophenyl)indazol-4-yl]-1-[2-[(3S)-3-fluoropyrrolidin-1-yl]-2-oxoethyl]piperazin-2-one
CID 127047251
1-[1-(2-fluorophenyl)-1H-indazol-4-yl]-3-{2-[(3S)-3-fluoropiperidin-1-yl]-2-oxoethyl}imidazolidin-2-one
CID 118937716

Frequently Asked Questions

What is the IUPAC name of cyclopentyl 2-[1-(2-fluorophenyl)indazol-4-yl]-3-oxo-5,6,8,8a-tetrahydro-1H-imidazo[1,5-a]pyrazine-7-carboxylate?
The IUPAC name of cyclopentyl 2-[1-(2-fluorophenyl)indazol-4-yl]-3-oxo-5,6,8,8a-tetrahydro-1H-imidazo[1,5-a]pyrazine-7-carboxylate (CID 118937848) is cyclopentyl 2-[1-(2-fluorophenyl)indazol-4-yl]-3-oxo-5,6,8,8a-tetrahydro-1H-imidazo[1,5-a]pyrazine-7-carboxylate.
What is the SMILES notation for cyclopentyl 2-[1-(2-fluorophenyl)indazol-4-yl]-3-oxo-5,6,8,8a-tetrahydro-1H-imidazo[1,5-a]pyrazine-7-carboxylate?
The canonical SMILES for cyclopentyl 2-[1-(2-fluorophenyl)indazol-4-yl]-3-oxo-5,6,8,8a-tetrahydro-1H-imidazo[1,5-a]pyrazine-7-carboxylate is O=C(OC1CCCC1)N1CCN2C(=O)N(c3cccc4c3cnn4-c3ccccc3F)CC2C1.
What is the InChIKey of cyclopentyl 2-[1-(2-fluorophenyl)indazol-4-yl]-3-oxo-5,6,8,8a-tetrahydro-1H-imidazo[1,5-a]pyrazine-7-carboxylate?
The InChIKey is MKRKFWZPBKDIHT-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H26FN5O3/c26-20-8-3-4-9-23(20)31-22-11-5-10-21(19(22)14-27-31)30-16-17-15-28(12-13-29(17)24(30)32)25(33)34-18-6-1-2-7-18/h3-5,8-11,14,17-18H,1-2,6-7,12-13,15-16H2.
What are the key properties of cyclopentyl 2-[1-(2-fluorophenyl)indazol-4-yl]-3-oxo-5,6,8,8a-tetrahydro-1H-imidazo[1,5-a]pyrazine-7-carboxylate?
cyclopentyl 2-[1-(2-fluorophenyl)indazol-4-yl]-3-oxo-5,6,8,8a-tetrahydro-1H-imidazo[1,5-a]pyrazine-7-carboxylate has a molecular weight of 463.51 g/mol, XLogP of 4.17, 3 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for cyclopentyl 2-[1-(2-fluorophenyl)indazol-4-yl]-3-oxo-5,6,8,8a-tetrahydro-1H-imidazo[1,5-a]pyrazine-7-carboxylate is sourced from PubChem (CID 118937848), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).