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

C25H25N3O3 — CID 134788830

IUPAC[2-cyclopropyl-4-(4-methoxyphenyl)-7,8-dihydro-5H-pyrido[4,3-d]pyrimidin-6-yl]-(2-methoxyphenyl)methanone
SMILESCOc1ccc(-c2nc(C3CC3)nc3c2CN(C(=O)c2ccccc2OC)CC3)cc1
InChIInChI=1S/C25H25N3O3/c1-30-18-11-9-16(10-12-18)23-20-15-28(25(29)19-5-3-4-6-22(19)31-2)14-13-21(20)26-24(27-23)17-7-8-17/h3-6,9-12,17H,7-8,13-15H2,1-2H3
InChIKeyJPMRJARPMBFFPI-UHFFFAOYSA-N
MW415.49 g/mol
LogP4.24
Rot. Bonds5

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

[2-cyclopropyl-4-(4-methoxyphenyl)-7,8-dihydro-5H-pyrido[4,3-d]pyrimidin-6-yl]-(2-methoxyphenyl)methanone (PubChem CID 134788830) has the molecular formula C25H25N3O3 and a molecular weight of 415.49 g/mol. Its IUPAC name is [2-cyclopropyl-4-(4-methoxyphenyl)-7,8-dihydro-5H-pyrido[4,3-d]pyrimidin-6-yl]-(2-methoxyphenyl)methanone.

Molecular Properties

Compound Name[2-cyclopropyl-4-(4-methoxyphenyl)-7,8-dihydro-5H-pyrido[4,3-d]pyrimidin-6-yl]-(2-methoxyphenyl)methanone
PubChem CID134788830
Molecular FormulaC25H25N3O3
Molecular Weight415.49 g/mol
Exact Mass415.19
IUPAC Name[2-cyclopropyl-4-(4-methoxyphenyl)-7,8-dihydro-5H-pyrido[4,3-d]pyrimidin-6-yl]-(2-methoxyphenyl)methanone
SMILESCOc1ccc(-c2nc(C3CC3)nc3c2CN(C(=O)c2ccccc2OC)CC3)cc1
InChIInChI=1S/C25H25N3O3/c1-30-18-11-9-16(10-12-18)23-20-15-28(25(29)19-5-3-4-6-22(19)31-2)14-13-21(20)26-24(27-23)17-7-8-17/h3-6,9-12,17H,7-8,13-15H2,1-2H3
InChIKeyJPMRJARPMBFFPI-UHFFFAOYSA-N
XLogP4.24
TPSA64.55 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms31
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500415.49
LogP ≤ 54.24
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Related Compounds

(2-chlorophenyl)-[4-(4-chlorophenyl)-2-cyclopropyl-7,8-dihydro-5H-pyrido[4,3-d]pyrimidin-6-yl]methanone
CID 134792004
[2-cyclopropyl-4-(4-hydroxyphenyl)-7,8-dihydro-5H-pyrido[4,3-d]pyrimidin-6-yl]-(4-methylphenyl)methanone
CID 137299036
6-(2-methoxybenzoyl)-2-(4-methylphenyl)-3,5,7,8-tetrahydropyrido[4,3-d]pyrimidin-4-one
CID 135444035
(4-fluorophenyl)-[2-(4-methoxyphenyl)-4-phenyl-7,8-dihydro-5H-pyrido[4,3-d]pyrimidin-6-yl]methanone
CID 134792089
2-cyclopropyl-4-(4-methoxyphenyl)-6-(3-methoxyphenyl)sulfonyl-7,8-dihydro-5H-pyrido[4,3-d]pyrimidine
CID 134788928
[4-(3-methoxyphenoxy)-2-(4-methylpiperidin-1-yl)-7,8-dihydro-5H-pyrido[4,3-d]pyrimidin-6-yl]-(2-methoxyphenyl)methanone
CID 46073555
1-[2-[(3R)-1-(2-methoxybenzoyl)piperidin-3-yl]-7,8-dihydro-5H-pyrido[4,3-d]pyrimidin-6-yl]ethanone
CID 92549627
4-(4-chlorophenyl)-2-cyclopropyl-N-phenyl-7,8-dihydro-5H-pyrido[4,3-d]pyrimidine-6-carboxamide
CID 134794829
[3-(4-fluorophenyl)-6,7-dihydro-4H-[1,2]oxazolo[4,3-c]pyridin-5-yl]-(2-methoxyphenyl)methanone
CID 108751163
(2-methoxyphenyl)-[3-[3-(4-methoxyphenyl)-1,2,4-oxadiazol-5-yl]piperidin-1-yl]methanone
CID 3226059
[3-(4-chlorophenyl)-1,4,6,7-tetrahydropyrazolo[4,3-c]pyridin-5-yl]-(2-methoxyphenyl)methanone
CID 108750131
(2-methoxyphenyl)-(4-morpholin-4-yl-2-phenyl-7,8-dihydro-5H-pyrido[4,3-d]pyrimidin-6-yl)methanone
CID 42787779

Frequently Asked Questions

What is the IUPAC name of [2-cyclopropyl-4-(4-methoxyphenyl)-7,8-dihydro-5H-pyrido[4,3-d]pyrimidin-6-yl]-(2-methoxyphenyl)methanone?
The IUPAC name of [2-cyclopropyl-4-(4-methoxyphenyl)-7,8-dihydro-5H-pyrido[4,3-d]pyrimidin-6-yl]-(2-methoxyphenyl)methanone (CID 134788830) is [2-cyclopropyl-4-(4-methoxyphenyl)-7,8-dihydro-5H-pyrido[4,3-d]pyrimidin-6-yl]-(2-methoxyphenyl)methanone.
What is the SMILES notation for [2-cyclopropyl-4-(4-methoxyphenyl)-7,8-dihydro-5H-pyrido[4,3-d]pyrimidin-6-yl]-(2-methoxyphenyl)methanone?
The canonical SMILES for [2-cyclopropyl-4-(4-methoxyphenyl)-7,8-dihydro-5H-pyrido[4,3-d]pyrimidin-6-yl]-(2-methoxyphenyl)methanone is COc1ccc(-c2nc(C3CC3)nc3c2CN(C(=O)c2ccccc2OC)CC3)cc1.
What is the InChIKey of [2-cyclopropyl-4-(4-methoxyphenyl)-7,8-dihydro-5H-pyrido[4,3-d]pyrimidin-6-yl]-(2-methoxyphenyl)methanone?
The InChIKey is JPMRJARPMBFFPI-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H25N3O3/c1-30-18-11-9-16(10-12-18)23-20-15-28(25(29)19-5-3-4-6-22(19)31-2)14-13-21(20)26-24(27-23)17-7-8-17/h3-6,9-12,17H,7-8,13-15H2,1-2H3.
What are the key properties of [2-cyclopropyl-4-(4-methoxyphenyl)-7,8-dihydro-5H-pyrido[4,3-d]pyrimidin-6-yl]-(2-methoxyphenyl)methanone?
[2-cyclopropyl-4-(4-methoxyphenyl)-7,8-dihydro-5H-pyrido[4,3-d]pyrimidin-6-yl]-(2-methoxyphenyl)methanone has a molecular weight of 415.49 g/mol, XLogP of 4.24, 5 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for [2-cyclopropyl-4-(4-methoxyphenyl)-7,8-dihydro-5H-pyrido[4,3-d]pyrimidin-6-yl]-(2-methoxyphenyl)methanone is sourced from PubChem (CID 134788830), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).