(4-methoxyphenyl)-[4-[methyl(propan-2-yl)amino]-2-phenyl-7,8-dihydro-5H-pyrido[4,3-d]pyrimidin-6-yl]methanone

C25H28N4O2 — CID 7271727

IUPAC(4-methoxyphenyl)-[4-[methyl(propan-2-yl)amino]-2-phenyl-7,8-dihydro-5H-pyrido[4,3-d]pyrimidin-6-yl]methanone
SMILESCOc1ccc(C(=O)N2CCc3nc(-c4ccccc4)nc(N(C)C(C)C)c3C2)cc1
InChIInChI=1S/C25H28N4O2/c1-17(2)28(3)24-21-16-29(25(30)19-10-12-20(31-4)13-11-19)15-14-22(21)26-23(27-24)18-8-6-5-7-9-18/h5-13,17H,14-16H2,1-4H3
InChIKeyBJWRILMMAHSCBA-UHFFFAOYSA-N
MW416.53 g/mol
LogP4.20
Rot. Bonds5

About (4-methoxyphenyl)-[4-[methyl(propan-2-yl)amino]-2-phenyl-7,8-dihydro-5H-pyrido[4,3-d]pyrimidin-6-yl]methanone

(4-methoxyphenyl)-[4-[methyl(propan-2-yl)amino]-2-phenyl-7,8-dihydro-5H-pyrido[4,3-d]pyrimidin-6-yl]methanone (PubChem CID 7271727) has the molecular formula C25H28N4O2 and a molecular weight of 416.53 g/mol. Its IUPAC name is (4-methoxyphenyl)-[4-[methyl(propan-2-yl)amino]-2-phenyl-7,8-dihydro-5H-pyrido[4,3-d]pyrimidin-6-yl]methanone.

Molecular Properties

Compound Name(4-methoxyphenyl)-[4-[methyl(propan-2-yl)amino]-2-phenyl-7,8-dihydro-5H-pyrido[4,3-d]pyrimidin-6-yl]methanone
PubChem CID7271727
Molecular FormulaC25H28N4O2
Molecular Weight416.53 g/mol
Exact Mass416.22
IUPAC Name(4-methoxyphenyl)-[4-[methyl(propan-2-yl)amino]-2-phenyl-7,8-dihydro-5H-pyrido[4,3-d]pyrimidin-6-yl]methanone
SMILESCOc1ccc(C(=O)N2CCc3nc(-c4ccccc4)nc(N(C)C(C)C)c3C2)cc1
InChIInChI=1S/C25H28N4O2/c1-17(2)28(3)24-21-16-29(25(30)19-10-12-20(31-4)13-11-19)15-14-22(21)26-23(27-24)18-8-6-5-7-9-18/h5-13,17H,14-16H2,1-4H3
InChIKeyBJWRILMMAHSCBA-UHFFFAOYSA-N
XLogP4.20
TPSA58.56 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms31
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500416.53
LogP ≤ 54.20
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Related Compounds

[4-[methyl(propan-2-yl)amino]-2-phenyl-7,8-dihydro-5H-pyrido[4,3-d]pyrimidin-6-yl]-naphthalen-2-ylmethanone
CID 42788651
3-methyl-1-[4-[methyl(propan-2-yl)amino]-2-phenyl-7,8-dihydro-5H-pyrido[4,3-d]pyrimidin-6-yl]butan-1-one
CID 7481870
(4-methylphenyl)-[4-[methyl(propyl)amino]-2-phenyl-7,8-dihydro-5H-pyrido[4,3-d]pyrimidin-6-yl]methanone
CID 7350346
1-[4-[methyl(propan-2-yl)amino]-2-phenyl-7,8-dihydro-5H-pyrido[4,3-d]pyrimidin-6-yl]-2-phenylsulfanylethanone
CID 42788657
(4-fluorophenyl)-[2-(4-methoxyphenyl)-4-phenyl-7,8-dihydro-5H-pyrido[4,3-d]pyrimidin-6-yl]methanone
CID 134792089
[4-[ethyl(methyl)amino]-2-phenyl-7,8-dihydro-5H-pyrido[4,3-d]pyrimidin-6-yl]-[4-(trifluoromethyl)phenyl]methanone
CID 42666244
1-[4-[ethyl(methyl)amino]-2-phenyl-7,8-dihydro-5H-pyrido[4,3-d]pyrimidin-6-yl]-2-(4-methoxyphenyl)ethanone
CID 7361156
N-(4-methoxyphenyl)-4-[methyl(propyl)amino]-2-phenyl-7,8-dihydro-5H-pyrido[4,3-d]pyrimidine-6-carboxamide
CID 42787891
(3,4-dichlorophenyl)-[4-[ethyl(methyl)amino]-2-phenyl-7,8-dihydro-5H-pyrido[4,3-d]pyrimidin-6-yl]methanone
CID 42788619
[2-(4-methylpiperidin-1-yl)-4-[methyl(propan-2-yl)amino]-7,8-dihydro-5H-pyrido[4,3-d]pyrimidin-6-yl]-phenylmethanone
CID 42855508
[4-(dimethylamino)-2-methyl-7,8-dihydro-5H-pyrido[4,3-d]pyrimidin-6-yl]-(4-phenylphenyl)methanone
CID 7271526
4-[ethyl(methyl)amino]-N-(3-methoxyphenyl)-2-phenyl-7,8-dihydro-5H-pyrido[4,3-d]pyrimidine-6-carboxamide
CID 7327023

Frequently Asked Questions

What is the IUPAC name of (4-methoxyphenyl)-[4-[methyl(propan-2-yl)amino]-2-phenyl-7,8-dihydro-5H-pyrido[4,3-d]pyrimidin-6-yl]methanone?
The IUPAC name of (4-methoxyphenyl)-[4-[methyl(propan-2-yl)amino]-2-phenyl-7,8-dihydro-5H-pyrido[4,3-d]pyrimidin-6-yl]methanone (CID 7271727) is (4-methoxyphenyl)-[4-[methyl(propan-2-yl)amino]-2-phenyl-7,8-dihydro-5H-pyrido[4,3-d]pyrimidin-6-yl]methanone.
What is the SMILES notation for (4-methoxyphenyl)-[4-[methyl(propan-2-yl)amino]-2-phenyl-7,8-dihydro-5H-pyrido[4,3-d]pyrimidin-6-yl]methanone?
The canonical SMILES for (4-methoxyphenyl)-[4-[methyl(propan-2-yl)amino]-2-phenyl-7,8-dihydro-5H-pyrido[4,3-d]pyrimidin-6-yl]methanone is COc1ccc(C(=O)N2CCc3nc(-c4ccccc4)nc(N(C)C(C)C)c3C2)cc1.
What is the InChIKey of (4-methoxyphenyl)-[4-[methyl(propan-2-yl)amino]-2-phenyl-7,8-dihydro-5H-pyrido[4,3-d]pyrimidin-6-yl]methanone?
The InChIKey is BJWRILMMAHSCBA-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H28N4O2/c1-17(2)28(3)24-21-16-29(25(30)19-10-12-20(31-4)13-11-19)15-14-22(21)26-23(27-24)18-8-6-5-7-9-18/h5-13,17H,14-16H2,1-4H3.
What are the key properties of (4-methoxyphenyl)-[4-[methyl(propan-2-yl)amino]-2-phenyl-7,8-dihydro-5H-pyrido[4,3-d]pyrimidin-6-yl]methanone?
(4-methoxyphenyl)-[4-[methyl(propan-2-yl)amino]-2-phenyl-7,8-dihydro-5H-pyrido[4,3-d]pyrimidin-6-yl]methanone has a molecular weight of 416.53 g/mol, XLogP of 4.20, 5 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for (4-methoxyphenyl)-[4-[methyl(propan-2-yl)amino]-2-phenyl-7,8-dihydro-5H-pyrido[4,3-d]pyrimidin-6-yl]methanone is sourced from PubChem (CID 7271727), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).