(7R)-2-amino-7-[4-fluoro-2-(6-oxo-1H-pyridin-2-yl)phenyl]-4-methyl-7,8-dihydro-6H-pyrido[4,3-d]pyrimidin-5-one

C19H16FN5O2 — CID 57450694

IUPAC(7R)-2-amino-7-[4-fluoro-2-(6-oxo-1H-pyridin-2-yl)phenyl]-4-methyl-7,8-dihydro-6H-pyrido[4,3-d]pyrimidin-5-one
SMILESCc1nc(N)nc2c1C(=O)N[C@@H](c1ccc(F)cc1-c1cccc(=O)[nH]1)C2
InChIInChI=1S/C19H16FN5O2/c1-9-17-15(25-19(21)22-9)8-14(24-18(17)27)11-6-5-10(20)7-12(11)13-3-2-4-16(26)23-13/h2-7,14H,8H2,1H3,(H,23,26)(H,24,27)(H2,21,22,25)/t14-/m1/s1
InChIKeyGRCCNDPONYAFAF-CQSZACIVSA-N
MW365.37 g/mol
LogP1.89
Rot. Bonds2

About (7R)-2-amino-7-[4-fluoro-2-(6-oxo-1H-pyridin-2-yl)phenyl]-4-methyl-7,8-dihydro-6H-pyrido[4,3-d]pyrimidin-5-one

(7R)-2-amino-7-[4-fluoro-2-(6-oxo-1H-pyridin-2-yl)phenyl]-4-methyl-7,8-dihydro-6H-pyrido[4,3-d]pyrimidin-5-one (PubChem CID 57450694) has the molecular formula C19H16FN5O2 and a molecular weight of 365.37 g/mol. Its IUPAC name is (7R)-2-amino-7-[4-fluoro-2-(6-oxo-1H-pyridin-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-(6-oxo-1H-pyridin-2-yl)phenyl]-4-methyl-7,8-dihydro-6H-pyrido[4,3-d]pyrimidin-5-one
PubChem CID57450694
Molecular FormulaC19H16FN5O2
Molecular Weight365.37 g/mol
Exact Mass365.13
IUPAC Name(7R)-2-amino-7-[4-fluoro-2-(6-oxo-1H-pyridin-2-yl)phenyl]-4-methyl-7,8-dihydro-6H-pyrido[4,3-d]pyrimidin-5-one
SMILESCc1nc(N)nc2c1C(=O)N[C@@H](c1ccc(F)cc1-c1cccc(=O)[nH]1)C2
InChIInChI=1S/C19H16FN5O2/c1-9-17-15(25-19(21)22-9)8-14(24-18(17)27)11-6-5-10(20)7-12(11)13-3-2-4-16(26)23-13/h2-7,14H,8H2,1H3,(H,23,26)(H,24,27)(H2,21,22,25)/t14-/m1/s1
InChIKeyGRCCNDPONYAFAF-CQSZACIVSA-N
XLogP1.89
TPSA113.76 Ų
H-Bond Donors3
H-Bond Acceptors5
Rotatable Bonds2
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500365.37
LogP ≤ 51.89
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 105

Analyze (7R)-2-amino-7-[4-fluoro-2-(6-oxo-1H-pyridin-2-yl)phenyl]-4-methyl-7,8-dihydro-6H-pyrido[4,3-d]pyrimidin-5-one with MolForge

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Frequently Asked Questions

What is the IUPAC name of (7R)-2-amino-7-[4-fluoro-2-(6-oxo-1H-pyridin-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-(6-oxo-1H-pyridin-2-yl)phenyl]-4-methyl-7,8-dihydro-6H-pyrido[4,3-d]pyrimidin-5-one (CID 57450694) is (7R)-2-amino-7-[4-fluoro-2-(6-oxo-1H-pyridin-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-(6-oxo-1H-pyridin-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-(6-oxo-1H-pyridin-2-yl)phenyl]-4-methyl-7,8-dihydro-6H-pyrido[4,3-d]pyrimidin-5-one is Cc1nc(N)nc2c1C(=O)N[C@@H](c1ccc(F)cc1-c1cccc(=O)[nH]1)C2.
What is the InChIKey of (7R)-2-amino-7-[4-fluoro-2-(6-oxo-1H-pyridin-2-yl)phenyl]-4-methyl-7,8-dihydro-6H-pyrido[4,3-d]pyrimidin-5-one?
The InChIKey is GRCCNDPONYAFAF-CQSZACIVSA-N. The full InChI is InChI=1S/C19H16FN5O2/c1-9-17-15(25-19(21)22-9)8-14(24-18(17)27)11-6-5-10(20)7-12(11)13-3-2-4-16(26)23-13/h2-7,14H,8H2,1H3,(H,23,26)(H,24,27)(H2,21,22,25)/t14-/m1/s1.
What are the key properties of (7R)-2-amino-7-[4-fluoro-2-(6-oxo-1H-pyridin-2-yl)phenyl]-4-methyl-7,8-dihydro-6H-pyrido[4,3-d]pyrimidin-5-one?
(7R)-2-amino-7-[4-fluoro-2-(6-oxo-1H-pyridin-2-yl)phenyl]-4-methyl-7,8-dihydro-6H-pyrido[4,3-d]pyrimidin-5-one has a molecular weight of 365.37 g/mol, XLogP of 1.89, 2 rotatable bonds, 3 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for (7R)-2-amino-7-[4-fluoro-2-(6-oxo-1H-pyridin-2-yl)phenyl]-4-methyl-7,8-dihydro-6H-pyrido[4,3-d]pyrimidin-5-one is sourced from PubChem (CID 57450694), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).