(7R)-2-amino-7-[4-fluoro-2-(5-methoxythiophen-2-yl)phenyl]-4-methyl-7,8-dihydro-6H-pyrido[4,3-d]pyrimidin-5-one

C19H17FN4O2S — CID 57424824

IUPAC(7R)-2-amino-7-[4-fluoro-2-(5-methoxythiophen-2-yl)phenyl]-4-methyl-7,8-dihydro-6H-pyrido[4,3-d]pyrimidin-5-one
SMILESCOc1ccc(-c2cc(F)ccc2[C@H]2Cc3nc(N)nc(C)c3C(=O)N2)s1
InChIInChI=1S/C19H17FN4O2S/c1-9-17-14(24-19(21)22-9)8-13(23-18(17)25)11-4-3-10(20)7-12(11)15-5-6-16(26-2)27-15/h3-7,13H,8H2,1-2H3,(H,23,25)(H2,21,22,24)/t13-/m1/s1
InChIKeyDKQUDOVNDMRXNZ-CYBMUJFWSA-N
MW384.44 g/mol
LogP3.27
Rot. Bonds3

About (7R)-2-amino-7-[4-fluoro-2-(5-methoxythiophen-2-yl)phenyl]-4-methyl-7,8-dihydro-6H-pyrido[4,3-d]pyrimidin-5-one

(7R)-2-amino-7-[4-fluoro-2-(5-methoxythiophen-2-yl)phenyl]-4-methyl-7,8-dihydro-6H-pyrido[4,3-d]pyrimidin-5-one (PubChem CID 57424824) has the molecular formula C19H17FN4O2S and a molecular weight of 384.44 g/mol. Its IUPAC name is (7R)-2-amino-7-[4-fluoro-2-(5-methoxythiophen-2-yl)phenyl]-4-methyl-7,8-dihydro-6H-pyrido[4,3-d]pyrimidin-5-one.

Molecular Properties

Compound Name(7R)-2-amino-7-[4-fluoro-2-(5-methoxythiophen-2-yl)phenyl]-4-methyl-7,8-dihydro-6H-pyrido[4,3-d]pyrimidin-5-one
PubChem CID57424824
Molecular FormulaC19H17FN4O2S
Molecular Weight384.44 g/mol
Exact Mass384.11
IUPAC Name(7R)-2-amino-7-[4-fluoro-2-(5-methoxythiophen-2-yl)phenyl]-4-methyl-7,8-dihydro-6H-pyrido[4,3-d]pyrimidin-5-one
SMILESCOc1ccc(-c2cc(F)ccc2[C@H]2Cc3nc(N)nc(C)c3C(=O)N2)s1
InChIInChI=1S/C19H17FN4O2S/c1-9-17-14(24-19(21)22-9)8-13(23-18(17)25)11-4-3-10(20)7-12(11)15-5-6-16(26-2)27-15/h3-7,13H,8H2,1-2H3,(H,23,25)(H2,21,22,24)/t13-/m1/s1
InChIKeyDKQUDOVNDMRXNZ-CYBMUJFWSA-N
XLogP3.27
TPSA90.13 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds3
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500384.44
LogP ≤ 53.27
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-[4-fluoro-2-(5-methoxythiophen-2-yl)phenyl]-4-methyl-7,8-dihydro-6H-pyrido[4,3-d]pyrimidin-5-one?
The IUPAC name of (7R)-2-amino-7-[4-fluoro-2-(5-methoxythiophen-2-yl)phenyl]-4-methyl-7,8-dihydro-6H-pyrido[4,3-d]pyrimidin-5-one (CID 57424824) is (7R)-2-amino-7-[4-fluoro-2-(5-methoxythiophen-2-yl)phenyl]-4-methyl-7,8-dihydro-6H-pyrido[4,3-d]pyrimidin-5-one.
What is the SMILES notation for (7R)-2-amino-7-[4-fluoro-2-(5-methoxythiophen-2-yl)phenyl]-4-methyl-7,8-dihydro-6H-pyrido[4,3-d]pyrimidin-5-one?
The canonical SMILES for (7R)-2-amino-7-[4-fluoro-2-(5-methoxythiophen-2-yl)phenyl]-4-methyl-7,8-dihydro-6H-pyrido[4,3-d]pyrimidin-5-one is COc1ccc(-c2cc(F)ccc2[C@H]2Cc3nc(N)nc(C)c3C(=O)N2)s1.
What is the InChIKey of (7R)-2-amino-7-[4-fluoro-2-(5-methoxythiophen-2-yl)phenyl]-4-methyl-7,8-dihydro-6H-pyrido[4,3-d]pyrimidin-5-one?
The InChIKey is DKQUDOVNDMRXNZ-CYBMUJFWSA-N. The full InChI is InChI=1S/C19H17FN4O2S/c1-9-17-14(24-19(21)22-9)8-13(23-18(17)25)11-4-3-10(20)7-12(11)15-5-6-16(26-2)27-15/h3-7,13H,8H2,1-2H3,(H,23,25)(H2,21,22,24)/t13-/m1/s1.
What are the key properties of (7R)-2-amino-7-[4-fluoro-2-(5-methoxythiophen-2-yl)phenyl]-4-methyl-7,8-dihydro-6H-pyrido[4,3-d]pyrimidin-5-one?
(7R)-2-amino-7-[4-fluoro-2-(5-methoxythiophen-2-yl)phenyl]-4-methyl-7,8-dihydro-6H-pyrido[4,3-d]pyrimidin-5-one has a molecular weight of 384.44 g/mol, XLogP of 3.27, 3 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for (7R)-2-amino-7-[4-fluoro-2-(5-methoxythiophen-2-yl)phenyl]-4-methyl-7,8-dihydro-6H-pyrido[4,3-d]pyrimidin-5-one is sourced from PubChem (CID 57424824), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).