2-amino-6-benzyl-7-(4-fluoro-2-pyridin-3-ylphenyl)-4-methyl-7,8-dihydropyrido[4,3-d]pyrimidin-5-one

C26H22FN5O — CID 67237434

IUPAC2-amino-6-benzyl-7-(4-fluoro-2-pyridin-3-ylphenyl)-4-methyl-7,8-dihydropyrido[4,3-d]pyrimidin-5-one
SMILESCc1nc(N)nc2c1C(=O)N(Cc1ccccc1)C(c1ccc(F)cc1-c1cccnc1)C2
InChIInChI=1S/C26H22FN5O/c1-16-24-22(31-26(28)30-16)13-23(32(25(24)33)15-17-6-3-2-4-7-17)20-10-9-19(27)12-21(20)18-8-5-11-29-14-18/h2-12,14,23H,13,15H2,1H3,(H2,28,30,31)
InChIKeyCEBRGPKLGCRFCK-UHFFFAOYSA-N
MW439.49 g/mol
LogP4.51
Rot. Bonds4

About 2-amino-6-benzyl-7-(4-fluoro-2-pyridin-3-ylphenyl)-4-methyl-7,8-dihydropyrido[4,3-d]pyrimidin-5-one

2-amino-6-benzyl-7-(4-fluoro-2-pyridin-3-ylphenyl)-4-methyl-7,8-dihydropyrido[4,3-d]pyrimidin-5-one (PubChem CID 67237434) has the molecular formula C26H22FN5O and a molecular weight of 439.49 g/mol. Its IUPAC name is 2-amino-6-benzyl-7-(4-fluoro-2-pyridin-3-ylphenyl)-4-methyl-7,8-dihydropyrido[4,3-d]pyrimidin-5-one.

Molecular Properties

Compound Name2-amino-6-benzyl-7-(4-fluoro-2-pyridin-3-ylphenyl)-4-methyl-7,8-dihydropyrido[4,3-d]pyrimidin-5-one
PubChem CID67237434
Molecular FormulaC26H22FN5O
Molecular Weight439.49 g/mol
Exact Mass439.18
IUPAC Name2-amino-6-benzyl-7-(4-fluoro-2-pyridin-3-ylphenyl)-4-methyl-7,8-dihydropyrido[4,3-d]pyrimidin-5-one
SMILESCc1nc(N)nc2c1C(=O)N(Cc1ccccc1)C(c1ccc(F)cc1-c1cccnc1)C2
InChIInChI=1S/C26H22FN5O/c1-16-24-22(31-26(28)30-16)13-23(32(25(24)33)15-17-6-3-2-4-7-17)20-10-9-19(27)12-21(20)18-8-5-11-29-14-18/h2-12,14,23H,13,15H2,1H3,(H2,28,30,31)
InChIKeyCEBRGPKLGCRFCK-UHFFFAOYSA-N
XLogP4.51
TPSA85.00 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms33
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500439.49
LogP ≤ 54.51
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

(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
2-amino-7-(4-fluoro-2-pyrimidin-5-ylphenyl)-4-methyl-6-(2-methyl-2-morpholin-4-ylpropyl)-7,8-dihydropyrido[4,3-d]pyrimidin-5-one
CID 46216383
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
2-amino-7-[4-fluoro-2-(2-methoxy-3-pyridinyl)phenyl]-4-methyl-6-(3-methylbutyl)-7,8-dihydropyrido[4,3-d]pyrimidin-5-one
CID 67238114
(7R)-2-amino-6-[(2,4-dimethoxyphenyl)methyl]-7-[4-fluoro-2-(6-methoxypyrazin-2-yl)phenyl]-4-methyl-7,8-dihydropyrido[4,3-d]pyrimidin-5-one
CID 57424864
2-amino-7-[2-(2,4-dimethoxypyrimidin-5-yl)-4-fluorophenyl]-6-ethyl-4-methyl-7,8-dihydropyrido[4,3-d]pyrimidin-5-one
CID 67238018
5-[3-(dimethylamino)propoxyimino]-7-(4-fluoro-2-pyridin-3-ylphenyl)-4-methyl-7,8-dihydro-6H-quinazolin-2-amine
CID 76750908
(5E)-7-(4-fluoro-2-pyridin-3-ylphenyl)-4-methyl-5-[2-[(2R)-pyrrolidin-2-yl]ethoxyimino]-7,8-dihydro-6H-quinazolin-2-amine
CID 71558560
7-(4-fluoro-2-pyridin-3-ylphenyl)-4-methyl-5-piperidin-4-yloxyimino-7,8-dihydro-6H-quinazolin-2-amine
CID 78111250
2-amino-4-methyl-7-(4-phenyl-3-pyridinyl)-7,8-dihydro-6H-quinazolin-5-one
CID 71210258
(5E)-7-(4-fluoro-2-pyridin-3-ylphenyl)-4-methyl-5-[[(3R)-pyrrolidin-3-yl]methoxyimino]-7,8-dihydro-6H-quinazolin-2-amine
CID 71558410
2-amino-7-[2-(6-chloropyrazin-2-yl)-4-fluorophenyl]-4-methyl-7,8-dihydro-6H-quinazolin-5-one
CID 87838008

Frequently Asked Questions

What is the IUPAC name of 2-amino-6-benzyl-7-(4-fluoro-2-pyridin-3-ylphenyl)-4-methyl-7,8-dihydropyrido[4,3-d]pyrimidin-5-one?
The IUPAC name of 2-amino-6-benzyl-7-(4-fluoro-2-pyridin-3-ylphenyl)-4-methyl-7,8-dihydropyrido[4,3-d]pyrimidin-5-one (CID 67237434) is 2-amino-6-benzyl-7-(4-fluoro-2-pyridin-3-ylphenyl)-4-methyl-7,8-dihydropyrido[4,3-d]pyrimidin-5-one.
What is the SMILES notation for 2-amino-6-benzyl-7-(4-fluoro-2-pyridin-3-ylphenyl)-4-methyl-7,8-dihydropyrido[4,3-d]pyrimidin-5-one?
The canonical SMILES for 2-amino-6-benzyl-7-(4-fluoro-2-pyridin-3-ylphenyl)-4-methyl-7,8-dihydropyrido[4,3-d]pyrimidin-5-one is Cc1nc(N)nc2c1C(=O)N(Cc1ccccc1)C(c1ccc(F)cc1-c1cccnc1)C2.
What is the InChIKey of 2-amino-6-benzyl-7-(4-fluoro-2-pyridin-3-ylphenyl)-4-methyl-7,8-dihydropyrido[4,3-d]pyrimidin-5-one?
The InChIKey is CEBRGPKLGCRFCK-UHFFFAOYSA-N. The full InChI is InChI=1S/C26H22FN5O/c1-16-24-22(31-26(28)30-16)13-23(32(25(24)33)15-17-6-3-2-4-7-17)20-10-9-19(27)12-21(20)18-8-5-11-29-14-18/h2-12,14,23H,13,15H2,1H3,(H2,28,30,31).
What are the key properties of 2-amino-6-benzyl-7-(4-fluoro-2-pyridin-3-ylphenyl)-4-methyl-7,8-dihydropyrido[4,3-d]pyrimidin-5-one?
2-amino-6-benzyl-7-(4-fluoro-2-pyridin-3-ylphenyl)-4-methyl-7,8-dihydropyrido[4,3-d]pyrimidin-5-one has a molecular weight of 439.49 g/mol, XLogP of 4.51, 4 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-amino-6-benzyl-7-(4-fluoro-2-pyridin-3-ylphenyl)-4-methyl-7,8-dihydropyrido[4,3-d]pyrimidin-5-one is sourced from PubChem (CID 67237434), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).