4-bromo-2-(8-butyl-2-methylimidazo[1,2-a]pyrazin-6-yl)-5-(5-fluoro-2-pyridinyl)-5-methyl-7H-pyrrolo[2,3-d]pyrimidin-6-one

C23H21BrFN7O — CID 140885064

IUPAC4-bromo-2-(8-butyl-2-methylimidazo[1,2-a]pyrazin-6-yl)-5-(5-fluoro-2-pyridinyl)-5-methyl-7H-pyrrolo[2,3-d]pyrimidin-6-one
SMILESCCCCc1nc(-c2nc(Br)c3c(n2)NC(=O)C3(C)c2ccc(F)cn2)cn2cc(C)nc12
InChIInChI=1S/C23H21BrFN7O/c1-4-5-6-14-21-27-12(2)10-32(21)11-15(28-14)19-29-18(24)17-20(30-19)31-22(33)23(17,3)16-8-7-13(25)9-26-16/h7-11H,4-6H2,1-3H3,(H,29,30,31,33)
InChIKeyYYHMLQZEZYMQAR-UHFFFAOYSA-N
MW510.37 g/mol
LogP4.39
Rot. Bonds5

About 4-bromo-2-(8-butyl-2-methylimidazo[1,2-a]pyrazin-6-yl)-5-(5-fluoro-2-pyridinyl)-5-methyl-7H-pyrrolo[2,3-d]pyrimidin-6-one

4-bromo-2-(8-butyl-2-methylimidazo[1,2-a]pyrazin-6-yl)-5-(5-fluoro-2-pyridinyl)-5-methyl-7H-pyrrolo[2,3-d]pyrimidin-6-one (PubChem CID 140885064) has the molecular formula C23H21BrFN7O and a molecular weight of 510.37 g/mol. Its IUPAC name is 4-bromo-2-(8-butyl-2-methylimidazo[1,2-a]pyrazin-6-yl)-5-(5-fluoro-2-pyridinyl)-5-methyl-7H-pyrrolo[2,3-d]pyrimidin-6-one.

Molecular Properties

Compound Name4-bromo-2-(8-butyl-2-methylimidazo[1,2-a]pyrazin-6-yl)-5-(5-fluoro-2-pyridinyl)-5-methyl-7H-pyrrolo[2,3-d]pyrimidin-6-one
PubChem CID140885064
Molecular FormulaC23H21BrFN7O
Molecular Weight510.37 g/mol
Exact Mass509.10
IUPAC Name4-bromo-2-(8-butyl-2-methylimidazo[1,2-a]pyrazin-6-yl)-5-(5-fluoro-2-pyridinyl)-5-methyl-7H-pyrrolo[2,3-d]pyrimidin-6-one
SMILESCCCCc1nc(-c2nc(Br)c3c(n2)NC(=O)C3(C)c2ccc(F)cn2)cn2cc(C)nc12
InChIInChI=1S/C23H21BrFN7O/c1-4-5-6-14-21-27-12(2)10-32(21)11-15(28-14)19-29-18(24)17-20(30-19)31-22(33)23(17,3)16-8-7-13(25)9-26-16/h7-11H,4-6H2,1-3H3,(H,29,30,31,33)
InChIKeyYYHMLQZEZYMQAR-UHFFFAOYSA-N
XLogP4.39
TPSA97.96 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds5
Heavy Atoms33
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500510.37
LogP ≤ 54.39
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

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Frequently Asked Questions

What is the IUPAC name of 4-bromo-2-(8-butyl-2-methylimidazo[1,2-a]pyrazin-6-yl)-5-(5-fluoro-2-pyridinyl)-5-methyl-7H-pyrrolo[2,3-d]pyrimidin-6-one?
The IUPAC name of 4-bromo-2-(8-butyl-2-methylimidazo[1,2-a]pyrazin-6-yl)-5-(5-fluoro-2-pyridinyl)-5-methyl-7H-pyrrolo[2,3-d]pyrimidin-6-one (CID 140885064) is 4-bromo-2-(8-butyl-2-methylimidazo[1,2-a]pyrazin-6-yl)-5-(5-fluoro-2-pyridinyl)-5-methyl-7H-pyrrolo[2,3-d]pyrimidin-6-one.
What is the SMILES notation for 4-bromo-2-(8-butyl-2-methylimidazo[1,2-a]pyrazin-6-yl)-5-(5-fluoro-2-pyridinyl)-5-methyl-7H-pyrrolo[2,3-d]pyrimidin-6-one?
The canonical SMILES for 4-bromo-2-(8-butyl-2-methylimidazo[1,2-a]pyrazin-6-yl)-5-(5-fluoro-2-pyridinyl)-5-methyl-7H-pyrrolo[2,3-d]pyrimidin-6-one is CCCCc1nc(-c2nc(Br)c3c(n2)NC(=O)C3(C)c2ccc(F)cn2)cn2cc(C)nc12.
What is the InChIKey of 4-bromo-2-(8-butyl-2-methylimidazo[1,2-a]pyrazin-6-yl)-5-(5-fluoro-2-pyridinyl)-5-methyl-7H-pyrrolo[2,3-d]pyrimidin-6-one?
The InChIKey is YYHMLQZEZYMQAR-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H21BrFN7O/c1-4-5-6-14-21-27-12(2)10-32(21)11-15(28-14)19-29-18(24)17-20(30-19)31-22(33)23(17,3)16-8-7-13(25)9-26-16/h7-11H,4-6H2,1-3H3,(H,29,30,31,33).
What are the key properties of 4-bromo-2-(8-butyl-2-methylimidazo[1,2-a]pyrazin-6-yl)-5-(5-fluoro-2-pyridinyl)-5-methyl-7H-pyrrolo[2,3-d]pyrimidin-6-one?
4-bromo-2-(8-butyl-2-methylimidazo[1,2-a]pyrazin-6-yl)-5-(5-fluoro-2-pyridinyl)-5-methyl-7H-pyrrolo[2,3-d]pyrimidin-6-one has a molecular weight of 510.37 g/mol, XLogP of 4.39, 5 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 4-bromo-2-(8-butyl-2-methylimidazo[1,2-a]pyrazin-6-yl)-5-(5-fluoro-2-pyridinyl)-5-methyl-7H-pyrrolo[2,3-d]pyrimidin-6-one is sourced from PubChem (CID 140885064), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).