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

C23H23FN8O — CID 129021861

IUPAC4-amino-2-(8-butyl-3-methylimidazo[1,2-a]pyrazin-6-yl)-5-(5-fluoro-2-pyridinyl)-5-methyl-7H-pyrrolo[2,3-d]pyrimidin-6-one
SMILESCCCCc1nc(-c2nc(N)c3c(n2)NC(=O)C3(C)c2ccc(F)cn2)cn2c(C)cnc12
InChIInChI=1S/C23H23FN8O/c1-4-5-6-14-21-27-9-12(2)32(21)11-15(28-14)19-29-18(25)17-20(30-19)31-22(33)23(17,3)16-8-7-13(24)10-26-16/h7-11H,4-6H2,1-3H3,(H3,25,29,30,31,33)
InChIKeyYFNIBGOXBDQGKG-UHFFFAOYSA-N
MW446.49 g/mol
LogP3.21
Rot. Bonds5

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

4-amino-2-(8-butyl-3-methylimidazo[1,2-a]pyrazin-6-yl)-5-(5-fluoro-2-pyridinyl)-5-methyl-7H-pyrrolo[2,3-d]pyrimidin-6-one (PubChem CID 129021861) has the molecular formula C23H23FN8O and a molecular weight of 446.49 g/mol. Its IUPAC name is 4-amino-2-(8-butyl-3-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-amino-2-(8-butyl-3-methylimidazo[1,2-a]pyrazin-6-yl)-5-(5-fluoro-2-pyridinyl)-5-methyl-7H-pyrrolo[2,3-d]pyrimidin-6-one
PubChem CID129021861
Molecular FormulaC23H23FN8O
Molecular Weight446.49 g/mol
Exact Mass446.20
IUPAC Name4-amino-2-(8-butyl-3-methylimidazo[1,2-a]pyrazin-6-yl)-5-(5-fluoro-2-pyridinyl)-5-methyl-7H-pyrrolo[2,3-d]pyrimidin-6-one
SMILESCCCCc1nc(-c2nc(N)c3c(n2)NC(=O)C3(C)c2ccc(F)cn2)cn2c(C)cnc12
InChIInChI=1S/C23H23FN8O/c1-4-5-6-14-21-27-9-12(2)32(21)11-15(28-14)19-29-18(25)17-20(30-19)31-22(33)23(17,3)16-8-7-13(24)10-26-16/h7-11H,4-6H2,1-3H3,(H3,25,29,30,31,33)
InChIKeyYFNIBGOXBDQGKG-UHFFFAOYSA-N
XLogP3.21
TPSA123.98 Ų
H-Bond Donors2
H-Bond Acceptors8
Rotatable Bonds5
Heavy Atoms33
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500446.49
LogP ≤ 53.21
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 108

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

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Frequently Asked Questions

What is the IUPAC name of 4-amino-2-(8-butyl-3-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-amino-2-(8-butyl-3-methylimidazo[1,2-a]pyrazin-6-yl)-5-(5-fluoro-2-pyridinyl)-5-methyl-7H-pyrrolo[2,3-d]pyrimidin-6-one (CID 129021861) is 4-amino-2-(8-butyl-3-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-amino-2-(8-butyl-3-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-amino-2-(8-butyl-3-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(N)c3c(n2)NC(=O)C3(C)c2ccc(F)cn2)cn2c(C)cnc12.
What is the InChIKey of 4-amino-2-(8-butyl-3-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 YFNIBGOXBDQGKG-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H23FN8O/c1-4-5-6-14-21-27-9-12(2)32(21)11-15(28-14)19-29-18(25)17-20(30-19)31-22(33)23(17,3)16-8-7-13(24)10-26-16/h7-11H,4-6H2,1-3H3,(H3,25,29,30,31,33).
What are the key properties of 4-amino-2-(8-butyl-3-methylimidazo[1,2-a]pyrazin-6-yl)-5-(5-fluoro-2-pyridinyl)-5-methyl-7H-pyrrolo[2,3-d]pyrimidin-6-one?
4-amino-2-(8-butyl-3-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 446.49 g/mol, XLogP of 3.21, 5 rotatable bonds, 2 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for 4-amino-2-(8-butyl-3-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 129021861), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).