2-amino-6-ethyl-7-[4-fluoro-2-(6-methoxy-2-pyridinyl)phenyl]-4-methyl-7,8-dihydropyrido[4,3-d]pyrimidin-5-one

C22H22FN5O2 — CID 67238285

IUPAC2-amino-6-ethyl-7-[4-fluoro-2-(6-methoxy-2-pyridinyl)phenyl]-4-methyl-7,8-dihydropyrido[4,3-d]pyrimidin-5-one
SMILESCCN1C(=O)c2c(C)nc(N)nc2CC1c1ccc(F)cc1-c1cccc(OC)n1
InChIInChI=1S/C22H22FN5O2/c1-4-28-18(11-17-20(21(28)29)12(2)25-22(24)27-17)14-9-8-13(23)10-15(14)16-6-5-7-19(26-16)30-3/h5-10,18H,4,11H2,1-3H3,(H2,24,25,27)
InChIKeyJEWGQXLMTGCLQN-UHFFFAOYSA-N
MW407.45 g/mol
LogP3.34
Rot. Bonds4

About 2-amino-6-ethyl-7-[4-fluoro-2-(6-methoxy-2-pyridinyl)phenyl]-4-methyl-7,8-dihydropyrido[4,3-d]pyrimidin-5-one

2-amino-6-ethyl-7-[4-fluoro-2-(6-methoxy-2-pyridinyl)phenyl]-4-methyl-7,8-dihydropyrido[4,3-d]pyrimidin-5-one (PubChem CID 67238285) has the molecular formula C22H22FN5O2 and a molecular weight of 407.45 g/mol. Its IUPAC name is 2-amino-6-ethyl-7-[4-fluoro-2-(6-methoxy-2-pyridinyl)phenyl]-4-methyl-7,8-dihydropyrido[4,3-d]pyrimidin-5-one.

Molecular Properties

Compound Name2-amino-6-ethyl-7-[4-fluoro-2-(6-methoxy-2-pyridinyl)phenyl]-4-methyl-7,8-dihydropyrido[4,3-d]pyrimidin-5-one
PubChem CID67238285
Molecular FormulaC22H22FN5O2
Molecular Weight407.45 g/mol
Exact Mass407.18
IUPAC Name2-amino-6-ethyl-7-[4-fluoro-2-(6-methoxy-2-pyridinyl)phenyl]-4-methyl-7,8-dihydropyrido[4,3-d]pyrimidin-5-one
SMILESCCN1C(=O)c2c(C)nc(N)nc2CC1c1ccc(F)cc1-c1cccc(OC)n1
InChIInChI=1S/C22H22FN5O2/c1-4-28-18(11-17-20(21(28)29)12(2)25-22(24)27-17)14-9-8-13(23)10-15(14)16-6-5-7-19(26-16)30-3/h5-10,18H,4,11H2,1-3H3,(H2,24,25,27)
InChIKeyJEWGQXLMTGCLQN-UHFFFAOYSA-N
XLogP3.34
TPSA94.23 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500407.45
LogP ≤ 53.34
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of 2-amino-6-ethyl-7-[4-fluoro-2-(6-methoxy-2-pyridinyl)phenyl]-4-methyl-7,8-dihydropyrido[4,3-d]pyrimidin-5-one?
The IUPAC name of 2-amino-6-ethyl-7-[4-fluoro-2-(6-methoxy-2-pyridinyl)phenyl]-4-methyl-7,8-dihydropyrido[4,3-d]pyrimidin-5-one (CID 67238285) is 2-amino-6-ethyl-7-[4-fluoro-2-(6-methoxy-2-pyridinyl)phenyl]-4-methyl-7,8-dihydropyrido[4,3-d]pyrimidin-5-one.
What is the SMILES notation for 2-amino-6-ethyl-7-[4-fluoro-2-(6-methoxy-2-pyridinyl)phenyl]-4-methyl-7,8-dihydropyrido[4,3-d]pyrimidin-5-one?
The canonical SMILES for 2-amino-6-ethyl-7-[4-fluoro-2-(6-methoxy-2-pyridinyl)phenyl]-4-methyl-7,8-dihydropyrido[4,3-d]pyrimidin-5-one is CCN1C(=O)c2c(C)nc(N)nc2CC1c1ccc(F)cc1-c1cccc(OC)n1.
What is the InChIKey of 2-amino-6-ethyl-7-[4-fluoro-2-(6-methoxy-2-pyridinyl)phenyl]-4-methyl-7,8-dihydropyrido[4,3-d]pyrimidin-5-one?
The InChIKey is JEWGQXLMTGCLQN-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H22FN5O2/c1-4-28-18(11-17-20(21(28)29)12(2)25-22(24)27-17)14-9-8-13(23)10-15(14)16-6-5-7-19(26-16)30-3/h5-10,18H,4,11H2,1-3H3,(H2,24,25,27).
What are the key properties of 2-amino-6-ethyl-7-[4-fluoro-2-(6-methoxy-2-pyridinyl)phenyl]-4-methyl-7,8-dihydropyrido[4,3-d]pyrimidin-5-one?
2-amino-6-ethyl-7-[4-fluoro-2-(6-methoxy-2-pyridinyl)phenyl]-4-methyl-7,8-dihydropyrido[4,3-d]pyrimidin-5-one has a molecular weight of 407.45 g/mol, XLogP of 3.34, 4 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2-amino-6-ethyl-7-[4-fluoro-2-(6-methoxy-2-pyridinyl)phenyl]-4-methyl-7,8-dihydropyrido[4,3-d]pyrimidin-5-one is sourced from PubChem (CID 67238285), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).