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

C27H23ClFN5O2 — CID 57424871

IUPAC(7R)-2-amino-6-[(2-chlorophenyl)methyl]-7-[4-fluoro-2-(6-methoxy-2-pyridinyl)phenyl]-4-methyl-7,8-dihydropyrido[4,3-d]pyrimidin-5-one
SMILESCOc1cccc(-c2cc(F)ccc2[C@H]2Cc3nc(N)nc(C)c3C(=O)N2Cc2ccccc2Cl)n1
InChIInChI=1S/C27H23ClFN5O2/c1-15-25-22(33-27(30)31-15)13-23(34(26(25)35)14-16-6-3-4-7-20(16)28)18-11-10-17(29)12-19(18)21-8-5-9-24(32-21)36-2/h3-12,23H,13-14H2,1-2H3,(H2,30,31,33)/t23-/m1/s1
InChIKeyAEQJNGCIXSCKGD-HSZRJFAPSA-N
MW503.97 g/mol
LogP5.17
Rot. Bonds5

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

(7R)-2-amino-6-[(2-chlorophenyl)methyl]-7-[4-fluoro-2-(6-methoxy-2-pyridinyl)phenyl]-4-methyl-7,8-dihydropyrido[4,3-d]pyrimidin-5-one (PubChem CID 57424871) has the molecular formula C27H23ClFN5O2 and a molecular weight of 503.97 g/mol. Its IUPAC name is (7R)-2-amino-6-[(2-chlorophenyl)methyl]-7-[4-fluoro-2-(6-methoxy-2-pyridinyl)phenyl]-4-methyl-7,8-dihydropyrido[4,3-d]pyrimidin-5-one.

Molecular Properties

Compound Name(7R)-2-amino-6-[(2-chlorophenyl)methyl]-7-[4-fluoro-2-(6-methoxy-2-pyridinyl)phenyl]-4-methyl-7,8-dihydropyrido[4,3-d]pyrimidin-5-one
PubChem CID57424871
Molecular FormulaC27H23ClFN5O2
Molecular Weight503.97 g/mol
Exact Mass503.15
IUPAC Name(7R)-2-amino-6-[(2-chlorophenyl)methyl]-7-[4-fluoro-2-(6-methoxy-2-pyridinyl)phenyl]-4-methyl-7,8-dihydropyrido[4,3-d]pyrimidin-5-one
SMILESCOc1cccc(-c2cc(F)ccc2[C@H]2Cc3nc(N)nc(C)c3C(=O)N2Cc2ccccc2Cl)n1
InChIInChI=1S/C27H23ClFN5O2/c1-15-25-22(33-27(30)31-15)13-23(34(26(25)35)14-16-6-3-4-7-20(16)28)18-11-10-17(29)12-19(18)21-8-5-9-24(32-21)36-2/h3-12,23H,13-14H2,1-2H3,(H2,30,31,33)/t23-/m1/s1
InChIKeyAEQJNGCIXSCKGD-HSZRJFAPSA-N
XLogP5.17
TPSA94.23 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms36
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500503.97
LogP ≤ 55.17
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

Analyze (7R)-2-amino-6-[(2-chlorophenyl)methyl]-7-[4-fluoro-2-(6-methoxy-2-pyridinyl)phenyl]-4-methyl-7,8-dihydropyrido[4,3-d]pyrimidin-5-one with MolForge

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Frequently Asked Questions

What is the IUPAC name of (7R)-2-amino-6-[(2-chlorophenyl)methyl]-7-[4-fluoro-2-(6-methoxy-2-pyridinyl)phenyl]-4-methyl-7,8-dihydropyrido[4,3-d]pyrimidin-5-one?
The IUPAC name of (7R)-2-amino-6-[(2-chlorophenyl)methyl]-7-[4-fluoro-2-(6-methoxy-2-pyridinyl)phenyl]-4-methyl-7,8-dihydropyrido[4,3-d]pyrimidin-5-one (CID 57424871) is (7R)-2-amino-6-[(2-chlorophenyl)methyl]-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 (7R)-2-amino-6-[(2-chlorophenyl)methyl]-7-[4-fluoro-2-(6-methoxy-2-pyridinyl)phenyl]-4-methyl-7,8-dihydropyrido[4,3-d]pyrimidin-5-one?
The canonical SMILES for (7R)-2-amino-6-[(2-chlorophenyl)methyl]-7-[4-fluoro-2-(6-methoxy-2-pyridinyl)phenyl]-4-methyl-7,8-dihydropyrido[4,3-d]pyrimidin-5-one is COc1cccc(-c2cc(F)ccc2[C@H]2Cc3nc(N)nc(C)c3C(=O)N2Cc2ccccc2Cl)n1.
What is the InChIKey of (7R)-2-amino-6-[(2-chlorophenyl)methyl]-7-[4-fluoro-2-(6-methoxy-2-pyridinyl)phenyl]-4-methyl-7,8-dihydropyrido[4,3-d]pyrimidin-5-one?
The InChIKey is AEQJNGCIXSCKGD-HSZRJFAPSA-N. The full InChI is InChI=1S/C27H23ClFN5O2/c1-15-25-22(33-27(30)31-15)13-23(34(26(25)35)14-16-6-3-4-7-20(16)28)18-11-10-17(29)12-19(18)21-8-5-9-24(32-21)36-2/h3-12,23H,13-14H2,1-2H3,(H2,30,31,33)/t23-/m1/s1.
What are the key properties of (7R)-2-amino-6-[(2-chlorophenyl)methyl]-7-[4-fluoro-2-(6-methoxy-2-pyridinyl)phenyl]-4-methyl-7,8-dihydropyrido[4,3-d]pyrimidin-5-one?
(7R)-2-amino-6-[(2-chlorophenyl)methyl]-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 503.97 g/mol, XLogP of 5.17, 5 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for (7R)-2-amino-6-[(2-chlorophenyl)methyl]-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 57424871), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).