4-[[(6R)-7-cyano-6-ethyl-5-propan-2-yl-6H-imidazo[1,5-f]pteridin-3-yl]amino]-2-fluoro-5-methoxybenzamide

C22H23FN8O2 — CID 70908907

IUPAC4-[[(6R)-7-cyano-6-ethyl-5-propan-2-yl-6H-imidazo[1,5-f]pteridin-3-yl]amino]-2-fluoro-5-methoxybenzamide
SMILESCC[C@@H]1c2c(C#N)ncn2-c2cnc(Nc3cc(F)c(C(N)=O)cc3OC)nc2N1C(C)C
InChIInChI=1S/C22H23FN8O2/c1-5-16-19-15(8-24)27-10-30(19)17-9-26-22(29-21(17)31(16)11(2)3)28-14-7-13(23)12(20(25)32)6-18(14)33-4/h6-7,9-11,16H,5H2,1-4H3,(H2,25,32)(H,26,28,29)/t16-/m1/s1
InChIKeyLHUVRSGXGUSIIM-MRXNPFEDSA-N
MW450.48 g/mol
LogP3.20
Rot. Bonds6

About 4-[[(6R)-7-cyano-6-ethyl-5-propan-2-yl-6H-imidazo[1,5-f]pteridin-3-yl]amino]-2-fluoro-5-methoxybenzamide

4-[[(6R)-7-cyano-6-ethyl-5-propan-2-yl-6H-imidazo[1,5-f]pteridin-3-yl]amino]-2-fluoro-5-methoxybenzamide (PubChem CID 70908907) has the molecular formula C22H23FN8O2 and a molecular weight of 450.48 g/mol. Its IUPAC name is 4-[[(6R)-7-cyano-6-ethyl-5-propan-2-yl-6H-imidazo[1,5-f]pteridin-3-yl]amino]-2-fluoro-5-methoxybenzamide.

Molecular Properties

Compound Name4-[[(6R)-7-cyano-6-ethyl-5-propan-2-yl-6H-imidazo[1,5-f]pteridin-3-yl]amino]-2-fluoro-5-methoxybenzamide
PubChem CID70908907
Molecular FormulaC22H23FN8O2
Molecular Weight450.48 g/mol
Exact Mass450.19
IUPAC Name4-[[(6R)-7-cyano-6-ethyl-5-propan-2-yl-6H-imidazo[1,5-f]pteridin-3-yl]amino]-2-fluoro-5-methoxybenzamide
SMILESCC[C@@H]1c2c(C#N)ncn2-c2cnc(Nc3cc(F)c(C(N)=O)cc3OC)nc2N1C(C)C
InChIInChI=1S/C22H23FN8O2/c1-5-16-19-15(8-24)27-10-30(19)17-9-26-22(29-21(17)31(16)11(2)3)28-14-7-13(23)12(20(25)32)6-18(14)33-4/h6-7,9-11,16H,5H2,1-4H3,(H2,25,32)(H,26,28,29)/t16-/m1/s1
InChIKeyLHUVRSGXGUSIIM-MRXNPFEDSA-N
XLogP3.20
TPSA134.98 Ų
H-Bond Donors2
H-Bond Acceptors9
Rotatable Bonds6
Heavy Atoms33
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500450.48
LogP ≤ 53.20
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 109

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Frequently Asked Questions

What is the IUPAC name of 4-[[(6R)-7-cyano-6-ethyl-5-propan-2-yl-6H-imidazo[1,5-f]pteridin-3-yl]amino]-2-fluoro-5-methoxybenzamide?
The IUPAC name of 4-[[(6R)-7-cyano-6-ethyl-5-propan-2-yl-6H-imidazo[1,5-f]pteridin-3-yl]amino]-2-fluoro-5-methoxybenzamide (CID 70908907) is 4-[[(6R)-7-cyano-6-ethyl-5-propan-2-yl-6H-imidazo[1,5-f]pteridin-3-yl]amino]-2-fluoro-5-methoxybenzamide.
What is the SMILES notation for 4-[[(6R)-7-cyano-6-ethyl-5-propan-2-yl-6H-imidazo[1,5-f]pteridin-3-yl]amino]-2-fluoro-5-methoxybenzamide?
The canonical SMILES for 4-[[(6R)-7-cyano-6-ethyl-5-propan-2-yl-6H-imidazo[1,5-f]pteridin-3-yl]amino]-2-fluoro-5-methoxybenzamide is CC[C@@H]1c2c(C#N)ncn2-c2cnc(Nc3cc(F)c(C(N)=O)cc3OC)nc2N1C(C)C.
What is the InChIKey of 4-[[(6R)-7-cyano-6-ethyl-5-propan-2-yl-6H-imidazo[1,5-f]pteridin-3-yl]amino]-2-fluoro-5-methoxybenzamide?
The InChIKey is LHUVRSGXGUSIIM-MRXNPFEDSA-N. The full InChI is InChI=1S/C22H23FN8O2/c1-5-16-19-15(8-24)27-10-30(19)17-9-26-22(29-21(17)31(16)11(2)3)28-14-7-13(23)12(20(25)32)6-18(14)33-4/h6-7,9-11,16H,5H2,1-4H3,(H2,25,32)(H,26,28,29)/t16-/m1/s1.
What are the key properties of 4-[[(6R)-7-cyano-6-ethyl-5-propan-2-yl-6H-imidazo[1,5-f]pteridin-3-yl]amino]-2-fluoro-5-methoxybenzamide?
4-[[(6R)-7-cyano-6-ethyl-5-propan-2-yl-6H-imidazo[1,5-f]pteridin-3-yl]amino]-2-fluoro-5-methoxybenzamide has a molecular weight of 450.48 g/mol, XLogP of 3.20, 6 rotatable bonds, 2 hydrogen bond donors, and 9 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[[(6R)-7-cyano-6-ethyl-5-propan-2-yl-6H-imidazo[1,5-f]pteridin-3-yl]amino]-2-fluoro-5-methoxybenzamide is sourced from PubChem (CID 70908907), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).