(7R)-2-amino-7-[2-(6-ethoxy-2-pyridinyl)-4-fluorophenyl]-4-methyl-7,8-dihydro-6H-pyrido[4,3-d]pyrimidin-5-one

C21H20FN5O2 — CID 57424831

IUPAC(7R)-2-amino-7-[2-(6-ethoxy-2-pyridinyl)-4-fluorophenyl]-4-methyl-7,8-dihydro-6H-pyrido[4,3-d]pyrimidin-5-one
SMILESCCOc1cccc(-c2cc(F)ccc2[C@H]2Cc3nc(N)nc(C)c3C(=O)N2)n1
InChIInChI=1S/C21H20FN5O2/c1-3-29-18-6-4-5-15(25-18)14-9-12(22)7-8-13(14)16-10-17-19(20(28)26-16)11(2)24-21(23)27-17/h4-9,16H,3,10H2,1-2H3,(H,26,28)(H2,23,24,27)/t16-/m1/s1
InChIKeyYZMLUOHUAMGPGS-MRXNPFEDSA-N
MW393.42 g/mol
LogP2.99
Rot. Bonds4

About (7R)-2-amino-7-[2-(6-ethoxy-2-pyridinyl)-4-fluorophenyl]-4-methyl-7,8-dihydro-6H-pyrido[4,3-d]pyrimidin-5-one

(7R)-2-amino-7-[2-(6-ethoxy-2-pyridinyl)-4-fluorophenyl]-4-methyl-7,8-dihydro-6H-pyrido[4,3-d]pyrimidin-5-one (PubChem CID 57424831) has the molecular formula C21H20FN5O2 and a molecular weight of 393.42 g/mol. Its IUPAC name is (7R)-2-amino-7-[2-(6-ethoxy-2-pyridinyl)-4-fluorophenyl]-4-methyl-7,8-dihydro-6H-pyrido[4,3-d]pyrimidin-5-one.

Molecular Properties

Compound Name(7R)-2-amino-7-[2-(6-ethoxy-2-pyridinyl)-4-fluorophenyl]-4-methyl-7,8-dihydro-6H-pyrido[4,3-d]pyrimidin-5-one
PubChem CID57424831
Molecular FormulaC21H20FN5O2
Molecular Weight393.42 g/mol
Exact Mass393.16
IUPAC Name(7R)-2-amino-7-[2-(6-ethoxy-2-pyridinyl)-4-fluorophenyl]-4-methyl-7,8-dihydro-6H-pyrido[4,3-d]pyrimidin-5-one
SMILESCCOc1cccc(-c2cc(F)ccc2[C@H]2Cc3nc(N)nc(C)c3C(=O)N2)n1
InChIInChI=1S/C21H20FN5O2/c1-3-29-18-6-4-5-15(25-18)14-9-12(22)7-8-13(14)16-10-17-19(20(28)26-16)11(2)24-21(23)27-17/h4-9,16H,3,10H2,1-2H3,(H,26,28)(H2,23,24,27)/t16-/m1/s1
InChIKeyYZMLUOHUAMGPGS-MRXNPFEDSA-N
XLogP2.99
TPSA103.02 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500393.42
LogP ≤ 52.99
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of (7R)-2-amino-7-[2-(6-ethoxy-2-pyridinyl)-4-fluorophenyl]-4-methyl-7,8-dihydro-6H-pyrido[4,3-d]pyrimidin-5-one?
The IUPAC name of (7R)-2-amino-7-[2-(6-ethoxy-2-pyridinyl)-4-fluorophenyl]-4-methyl-7,8-dihydro-6H-pyrido[4,3-d]pyrimidin-5-one (CID 57424831) is (7R)-2-amino-7-[2-(6-ethoxy-2-pyridinyl)-4-fluorophenyl]-4-methyl-7,8-dihydro-6H-pyrido[4,3-d]pyrimidin-5-one.
What is the SMILES notation for (7R)-2-amino-7-[2-(6-ethoxy-2-pyridinyl)-4-fluorophenyl]-4-methyl-7,8-dihydro-6H-pyrido[4,3-d]pyrimidin-5-one?
The canonical SMILES for (7R)-2-amino-7-[2-(6-ethoxy-2-pyridinyl)-4-fluorophenyl]-4-methyl-7,8-dihydro-6H-pyrido[4,3-d]pyrimidin-5-one is CCOc1cccc(-c2cc(F)ccc2[C@H]2Cc3nc(N)nc(C)c3C(=O)N2)n1.
What is the InChIKey of (7R)-2-amino-7-[2-(6-ethoxy-2-pyridinyl)-4-fluorophenyl]-4-methyl-7,8-dihydro-6H-pyrido[4,3-d]pyrimidin-5-one?
The InChIKey is YZMLUOHUAMGPGS-MRXNPFEDSA-N. The full InChI is InChI=1S/C21H20FN5O2/c1-3-29-18-6-4-5-15(25-18)14-9-12(22)7-8-13(14)16-10-17-19(20(28)26-16)11(2)24-21(23)27-17/h4-9,16H,3,10H2,1-2H3,(H,26,28)(H2,23,24,27)/t16-/m1/s1.
What are the key properties of (7R)-2-amino-7-[2-(6-ethoxy-2-pyridinyl)-4-fluorophenyl]-4-methyl-7,8-dihydro-6H-pyrido[4,3-d]pyrimidin-5-one?
(7R)-2-amino-7-[2-(6-ethoxy-2-pyridinyl)-4-fluorophenyl]-4-methyl-7,8-dihydro-6H-pyrido[4,3-d]pyrimidin-5-one has a molecular weight of 393.42 g/mol, XLogP of 2.99, 4 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for (7R)-2-amino-7-[2-(6-ethoxy-2-pyridinyl)-4-fluorophenyl]-4-methyl-7,8-dihydro-6H-pyrido[4,3-d]pyrimidin-5-one is sourced from PubChem (CID 57424831), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).