[8-amino-6-(4-fluorophenyl)-5-(3-methylbenzimidazol-5-yl)imidazo[1,2-a]pyrazin-2-yl]-(3-aminopyrrolidin-1-yl)methanone

C25H23FN8O — CID 150738966

IUPAC[8-amino-6-(4-fluorophenyl)-5-(3-methylbenzimidazol-5-yl)imidazo[1,2-a]pyrazin-2-yl]-(3-aminopyrrolidin-1-yl)methanone
SMILESCn1cnc2ccc(-c3c(-c4ccc(F)cc4)nc(N)c4nc(C(=O)N5CCC(N)C5)cn34)cc21
InChIInChI=1S/C25H23FN8O/c1-32-13-29-18-7-4-15(10-20(18)32)22-21(14-2-5-16(26)6-3-14)31-23(28)24-30-19(12-34(22)24)25(35)33-9-8-17(27)11-33/h2-7,10,12-13,17H,8-9,11,27H2,1H3,(H2,28,31)
InChIKeyJTKYYPIUVJKUIO-UHFFFAOYSA-N
MW470.51 g/mol
LogP2.84
Rot. Bonds3

About [8-amino-6-(4-fluorophenyl)-5-(3-methylbenzimidazol-5-yl)imidazo[1,2-a]pyrazin-2-yl]-(3-aminopyrrolidin-1-yl)methanone

[8-amino-6-(4-fluorophenyl)-5-(3-methylbenzimidazol-5-yl)imidazo[1,2-a]pyrazin-2-yl]-(3-aminopyrrolidin-1-yl)methanone (PubChem CID 150738966) has the molecular formula C25H23FN8O and a molecular weight of 470.51 g/mol. Its IUPAC name is [8-amino-6-(4-fluorophenyl)-5-(3-methylbenzimidazol-5-yl)imidazo[1,2-a]pyrazin-2-yl]-(3-aminopyrrolidin-1-yl)methanone.

Molecular Properties

Compound Name[8-amino-6-(4-fluorophenyl)-5-(3-methylbenzimidazol-5-yl)imidazo[1,2-a]pyrazin-2-yl]-(3-aminopyrrolidin-1-yl)methanone
PubChem CID150738966
Molecular FormulaC25H23FN8O
Molecular Weight470.51 g/mol
Exact Mass470.20
IUPAC Name[8-amino-6-(4-fluorophenyl)-5-(3-methylbenzimidazol-5-yl)imidazo[1,2-a]pyrazin-2-yl]-(3-aminopyrrolidin-1-yl)methanone
SMILESCn1cnc2ccc(-c3c(-c4ccc(F)cc4)nc(N)c4nc(C(=O)N5CCC(N)C5)cn34)cc21
InChIInChI=1S/C25H23FN8O/c1-32-13-29-18-7-4-15(10-20(18)32)22-21(14-2-5-16(26)6-3-14)31-23(28)24-30-19(12-34(22)24)25(35)33-9-8-17(27)11-33/h2-7,10,12-13,17H,8-9,11,27H2,1H3,(H2,28,31)
InChIKeyJTKYYPIUVJKUIO-UHFFFAOYSA-N
XLogP2.84
TPSA120.36 Ų
H-Bond Donors2
H-Bond Acceptors8
Rotatable Bonds3
Heavy Atoms35
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500470.51
LogP ≤ 52.84
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 108

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Related Compounds

8-amino-N-(1,1-difluoropropan-2-yl)-6-(4-fluorophenyl)-5-(3-methylbenzimidazol-5-yl)imidazo[1,2-a]pyrazine-2-carboxamide
CID 151391110
[8-amino-6-(3-fluorophenyl)-5-(3-methylbenzimidazol-5-yl)imidazo[1,2-a]pyrazin-2-yl]-morpholin-4-ylmethanone;ethyl 8-amino-5-chloro-6-(3-fluorophenyl)imidazo[1,2-a]pyrazine-2-carboxylate
CID 159653925
[8-amino-6-(4-fluorophenyl)-5-(4-methylquinolin-6-yl)imidazo[1,2-a]pyrazin-2-yl]-morpholin-4-ylmethanone
CID 137372379
8-amino-6-(4-fluorophenyl)-N-(3-hydroxypropyl)-5-(4-methylquinolin-6-yl)imidazo[1,2-a]pyrazine-2-carboxamide
CID 151528995
8-amino-N-(2,2-dimethylpropyl)-6-(4-fluorophenyl)-5-(4-methylquinolin-6-yl)imidazo[1,2-a]pyrazine-2-carboxamide
CID 152705743
2-[(3S)-3-aminopiperidine-1-carbonyl]-6-(4-fluorophenyl)-7-methylimidazo[1,2-a]pyrazin-8-one
CID 70750282
4-[5-[(3S)-3-aminopyrrolidine-1-carbonyl]-2-(1-methylbenzimidazol-5-yl)phenyl]-2-fluorobenzonitrile
CID 135339815
[(3R)-3-aminopyrrolidin-1-yl]-[3-(4-fluorophenyl)-1H-pyrazol-5-yl]methanone
CID 119409300
(3-aminopiperidin-1-yl)-(1-methylbenzimidazol-5-yl)methanone
CID 83733082
(3-aminopyrrolidin-1-yl)-pyridin-2-ylmethanone
CID 59657975
[(3R)-3-aminopyrrolidin-1-yl]-pyridin-2-ylmethanone
CID 53256401
[(3R)-3-aminopyrrolidin-1-yl]-[5-(4-fluorophenyl)furan-2-yl]methanone
CID 119412672

Frequently Asked Questions

What is the IUPAC name of [8-amino-6-(4-fluorophenyl)-5-(3-methylbenzimidazol-5-yl)imidazo[1,2-a]pyrazin-2-yl]-(3-aminopyrrolidin-1-yl)methanone?
The IUPAC name of [8-amino-6-(4-fluorophenyl)-5-(3-methylbenzimidazol-5-yl)imidazo[1,2-a]pyrazin-2-yl]-(3-aminopyrrolidin-1-yl)methanone (CID 150738966) is [8-amino-6-(4-fluorophenyl)-5-(3-methylbenzimidazol-5-yl)imidazo[1,2-a]pyrazin-2-yl]-(3-aminopyrrolidin-1-yl)methanone.
What is the SMILES notation for [8-amino-6-(4-fluorophenyl)-5-(3-methylbenzimidazol-5-yl)imidazo[1,2-a]pyrazin-2-yl]-(3-aminopyrrolidin-1-yl)methanone?
The canonical SMILES for [8-amino-6-(4-fluorophenyl)-5-(3-methylbenzimidazol-5-yl)imidazo[1,2-a]pyrazin-2-yl]-(3-aminopyrrolidin-1-yl)methanone is Cn1cnc2ccc(-c3c(-c4ccc(F)cc4)nc(N)c4nc(C(=O)N5CCC(N)C5)cn34)cc21.
What is the InChIKey of [8-amino-6-(4-fluorophenyl)-5-(3-methylbenzimidazol-5-yl)imidazo[1,2-a]pyrazin-2-yl]-(3-aminopyrrolidin-1-yl)methanone?
The InChIKey is JTKYYPIUVJKUIO-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H23FN8O/c1-32-13-29-18-7-4-15(10-20(18)32)22-21(14-2-5-16(26)6-3-14)31-23(28)24-30-19(12-34(22)24)25(35)33-9-8-17(27)11-33/h2-7,10,12-13,17H,8-9,11,27H2,1H3,(H2,28,31).
What are the key properties of [8-amino-6-(4-fluorophenyl)-5-(3-methylbenzimidazol-5-yl)imidazo[1,2-a]pyrazin-2-yl]-(3-aminopyrrolidin-1-yl)methanone?
[8-amino-6-(4-fluorophenyl)-5-(3-methylbenzimidazol-5-yl)imidazo[1,2-a]pyrazin-2-yl]-(3-aminopyrrolidin-1-yl)methanone has a molecular weight of 470.51 g/mol, XLogP of 2.84, 3 rotatable bonds, 2 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for [8-amino-6-(4-fluorophenyl)-5-(3-methylbenzimidazol-5-yl)imidazo[1,2-a]pyrazin-2-yl]-(3-aminopyrrolidin-1-yl)methanone is sourced from PubChem (CID 150738966), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).