7-(3,4-dimethoxyphenyl)-3-methyl-5-[[(3R)-piperidin-3-yl]amino]pyrido[4,3-d]pyrimidin-4-one

C21H25N5O3 — CID 66891408

IUPAC7-(3,4-dimethoxyphenyl)-3-methyl-5-[[(3R)-piperidin-3-yl]amino]pyrido[4,3-d]pyrimidin-4-one
SMILESCOc1ccc(-c2cc3ncn(C)c(=O)c3c(N[C@@H]3CCCNC3)n2)cc1OC
InChIInChI=1S/C21H25N5O3/c1-26-12-23-16-10-15(13-6-7-17(28-2)18(9-13)29-3)25-20(19(16)21(26)27)24-14-5-4-8-22-11-14/h6-7,9-10,12,14,22H,4-5,8,11H2,1-3H3,(H,24,25)/t14-/m1/s1
InChIKeyDGRXOGMVTGVNMT-CQSZACIVSA-N
MW395.46 g/mol
LogP2.18
Rot. Bonds5

About 7-(3,4-dimethoxyphenyl)-3-methyl-5-[[(3R)-piperidin-3-yl]amino]pyrido[4,3-d]pyrimidin-4-one

7-(3,4-dimethoxyphenyl)-3-methyl-5-[[(3R)-piperidin-3-yl]amino]pyrido[4,3-d]pyrimidin-4-one (PubChem CID 66891408) has the molecular formula C21H25N5O3 and a molecular weight of 395.46 g/mol. Its IUPAC name is 7-(3,4-dimethoxyphenyl)-3-methyl-5-[[(3R)-piperidin-3-yl]amino]pyrido[4,3-d]pyrimidin-4-one.

Molecular Properties

Compound Name7-(3,4-dimethoxyphenyl)-3-methyl-5-[[(3R)-piperidin-3-yl]amino]pyrido[4,3-d]pyrimidin-4-one
PubChem CID66891408
Molecular FormulaC21H25N5O3
Molecular Weight395.46 g/mol
Exact Mass395.20
IUPAC Name7-(3,4-dimethoxyphenyl)-3-methyl-5-[[(3R)-piperidin-3-yl]amino]pyrido[4,3-d]pyrimidin-4-one
SMILESCOc1ccc(-c2cc3ncn(C)c(=O)c3c(N[C@@H]3CCCNC3)n2)cc1OC
InChIInChI=1S/C21H25N5O3/c1-26-12-23-16-10-15(13-6-7-17(28-2)18(9-13)29-3)25-20(19(16)21(26)27)24-14-5-4-8-22-11-14/h6-7,9-10,12,14,22H,4-5,8,11H2,1-3H3,(H,24,25)/t14-/m1/s1
InChIKeyDGRXOGMVTGVNMT-CQSZACIVSA-N
XLogP2.18
TPSA90.30 Ų
H-Bond Donors2
H-Bond Acceptors8
Rotatable Bonds5
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500395.46
LogP ≤ 52.18
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 108

Analyze 7-(3,4-dimethoxyphenyl)-3-methyl-5-[[(3R)-piperidin-3-yl]amino]pyrido[4,3-d]pyrimidin-4-one with MolForge

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Related Compounds

7-(3,4-dimethoxyphenyl)-3-methyl-5-[(2-oxopyrrolidin-3-yl)methylamino]pyrido[4,3-d]pyrimidin-4-one
CID 58093129
3-methyl-7-(4-methylphenyl)-5-[[(3S)-piperidin-3-yl]methylamino]pyrido[4,3-d]pyrimidin-4-one
CID 155544000
5-(cyclopropylamino)-7-(4-methoxy-3-morpholin-4-ylsulfonylphenyl)-3-methylpyrido[4,3-d]pyrimidin-4-one
CID 66959740
5-[[(2S)-2-aminopropyl]amino]-7-(3,4-dimethoxyphenyl)-3-methylpyrido[4,3-d]pyrimidin-4-one
CID 58092930
5-(cyclopropylamino)-3-methyl-7-(2-methyl-3H-benzimidazol-5-yl)pyrido[4,3-d]pyrimidin-4-one
CID 66892160
5-(cyclopropylamino)-3-methyl-7-(4-propan-2-ylphenyl)pyrido[4,3-d]pyrimidin-4-one
CID 66959853
7-(3,4-dimethoxyphenyl)-3-methyl-5-[[(2R)-3,3,3-trifluoro-2-hydroxypropyl]amino]pyrido[4,3-d]pyrimidin-4-one
CID 58093197
7-(3,4-dimethoxyphenyl)-3-methyl-5-[(5-methylfuran-2-yl)methylamino]pyrido[4,3-d]pyrimidin-4-one
CID 58092941
7-(3,4-dimethoxyphenyl)-5-[[(2S)-2-hydroxy-2-phenylethyl]amino]-3-methylpyrido[4,3-d]pyrimidin-4-one
CID 58093032
4-[5-(cyclopropylamino)-3-methyl-4-oxopyrido[4,3-d]pyrimidin-7-yl]-N-methylbenzenesulfonamide
CID 66959397
7-[4-(2-hydroxypropan-2-yl)phenyl]-3-methyl-5-[(6-oxopiperidin-3-yl)amino]pyrido[4,3-d]pyrimidin-4-one
CID 66958842
7-(4-methoxy-3-methylsulfonylphenyl)-3-methyl-5-(propan-2-ylamino)pyrido[4,3-d]pyrimidin-4-one
CID 50923838

Frequently Asked Questions

What is the IUPAC name of 7-(3,4-dimethoxyphenyl)-3-methyl-5-[[(3R)-piperidin-3-yl]amino]pyrido[4,3-d]pyrimidin-4-one?
The IUPAC name of 7-(3,4-dimethoxyphenyl)-3-methyl-5-[[(3R)-piperidin-3-yl]amino]pyrido[4,3-d]pyrimidin-4-one (CID 66891408) is 7-(3,4-dimethoxyphenyl)-3-methyl-5-[[(3R)-piperidin-3-yl]amino]pyrido[4,3-d]pyrimidin-4-one.
What is the SMILES notation for 7-(3,4-dimethoxyphenyl)-3-methyl-5-[[(3R)-piperidin-3-yl]amino]pyrido[4,3-d]pyrimidin-4-one?
The canonical SMILES for 7-(3,4-dimethoxyphenyl)-3-methyl-5-[[(3R)-piperidin-3-yl]amino]pyrido[4,3-d]pyrimidin-4-one is COc1ccc(-c2cc3ncn(C)c(=O)c3c(N[C@@H]3CCCNC3)n2)cc1OC.
What is the InChIKey of 7-(3,4-dimethoxyphenyl)-3-methyl-5-[[(3R)-piperidin-3-yl]amino]pyrido[4,3-d]pyrimidin-4-one?
The InChIKey is DGRXOGMVTGVNMT-CQSZACIVSA-N. The full InChI is InChI=1S/C21H25N5O3/c1-26-12-23-16-10-15(13-6-7-17(28-2)18(9-13)29-3)25-20(19(16)21(26)27)24-14-5-4-8-22-11-14/h6-7,9-10,12,14,22H,4-5,8,11H2,1-3H3,(H,24,25)/t14-/m1/s1.
What are the key properties of 7-(3,4-dimethoxyphenyl)-3-methyl-5-[[(3R)-piperidin-3-yl]amino]pyrido[4,3-d]pyrimidin-4-one?
7-(3,4-dimethoxyphenyl)-3-methyl-5-[[(3R)-piperidin-3-yl]amino]pyrido[4,3-d]pyrimidin-4-one has a molecular weight of 395.46 g/mol, XLogP of 2.18, 5 rotatable bonds, 2 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for 7-(3,4-dimethoxyphenyl)-3-methyl-5-[[(3R)-piperidin-3-yl]amino]pyrido[4,3-d]pyrimidin-4-one is sourced from PubChem (CID 66891408), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).