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

C24H23N3O2 — CID 137299036

IUPAC[2-cyclopropyl-4-(4-hydroxyphenyl)-7,8-dihydro-5H-pyrido[4,3-d]pyrimidin-6-yl]-(4-methylphenyl)methanone
SMILESCc1ccc(C(=O)N2CCc3nc(C4CC4)nc(-c4ccc(O)cc4)c3C2)cc1
InChIInChI=1S/C24H23N3O2/c1-15-2-4-18(5-3-15)24(29)27-13-12-21-20(14-27)22(16-8-10-19(28)11-9-16)26-23(25-21)17-6-7-17/h2-5,8-11,17,28H,6-7,12-14H2,1H3
InChIKeyKAUBOADTLKCQED-UHFFFAOYSA-N
MW385.47 g/mol
LogP4.23
Rot. Bonds3

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

[2-cyclopropyl-4-(4-hydroxyphenyl)-7,8-dihydro-5H-pyrido[4,3-d]pyrimidin-6-yl]-(4-methylphenyl)methanone (PubChem CID 137299036) has the molecular formula C24H23N3O2 and a molecular weight of 385.47 g/mol. Its IUPAC name is [2-cyclopropyl-4-(4-hydroxyphenyl)-7,8-dihydro-5H-pyrido[4,3-d]pyrimidin-6-yl]-(4-methylphenyl)methanone.

Molecular Properties

Compound Name[2-cyclopropyl-4-(4-hydroxyphenyl)-7,8-dihydro-5H-pyrido[4,3-d]pyrimidin-6-yl]-(4-methylphenyl)methanone
PubChem CID137299036
Molecular FormulaC24H23N3O2
Molecular Weight385.47 g/mol
Exact Mass385.18
IUPAC Name[2-cyclopropyl-4-(4-hydroxyphenyl)-7,8-dihydro-5H-pyrido[4,3-d]pyrimidin-6-yl]-(4-methylphenyl)methanone
SMILESCc1ccc(C(=O)N2CCc3nc(C4CC4)nc(-c4ccc(O)cc4)c3C2)cc1
InChIInChI=1S/C24H23N3O2/c1-15-2-4-18(5-3-15)24(29)27-13-12-21-20(14-27)22(16-8-10-19(28)11-9-16)26-23(25-21)17-6-7-17/h2-5,8-11,17,28H,6-7,12-14H2,1H3
InChIKeyKAUBOADTLKCQED-UHFFFAOYSA-N
XLogP4.23
TPSA66.32 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500385.47
LogP ≤ 54.23
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

[2-cyclopropyl-4-(4-methoxyphenyl)-7,8-dihydro-5H-pyrido[4,3-d]pyrimidin-6-yl]-(2-methoxyphenyl)methanone
CID 134788830
[4-(4-hydroxyphenyl)-2-methyl-7,8-dihydro-5H-pyrido[4,3-d]pyrimidin-6-yl]-[4-(trifluoromethyl)phenyl]methanone
CID 137299110
(2-chlorophenyl)-[4-(4-chlorophenyl)-2-cyclopropyl-7,8-dihydro-5H-pyrido[4,3-d]pyrimidin-6-yl]methanone
CID 134792004
[2-(4-chlorophenyl)-4-phenyl-7,8-dihydro-5H-pyrido[4,3-d]pyrimidin-6-yl]-(4-methylphenyl)methanone
CID 134794191
(2-chlorophenyl)-[4-(4-hydroxyphenyl)-2-methyl-7,8-dihydro-5H-pyrido[4,3-d]pyrimidin-6-yl]methanone
CID 137299150
1-[2-methyl-4-(4-methylphenyl)-7,8-dihydro-5H-pyrido[4,3-d]pyrimidin-6-yl]ethanone;hydrate
CID 19883239
4-(4-chlorophenyl)-2-cyclopropyl-N-phenyl-7,8-dihydro-5H-pyrido[4,3-d]pyrimidine-6-carboxamide
CID 134794829
cyclopentyl-[4-(4-hydroxyphenyl)-2-propan-2-yl-7,8-dihydro-5H-pyrido[4,3-d]pyrimidin-6-yl]methanone
CID 137299170
CID 134795097
CID 134795097
[4-(4-chlorophenyl)-2-propan-2-yl-5,6,8,9-tetrahydropyrimido[4,5-d]azepin-7-yl]-(4-methylphenyl)methanone
CID 134790942
2-[(3R)-1-(cyclopropanecarbonyl)piperidin-3-yl]-6-(4-methylbenzoyl)-3,5,7,8-tetrahydropyrido[4,3-d]pyrimidin-4-one
CID 136860792
(4-fluorophenyl)-[2-(4-methoxyphenyl)-4-phenyl-7,8-dihydro-5H-pyrido[4,3-d]pyrimidin-6-yl]methanone
CID 134792089

Frequently Asked Questions

What is the IUPAC name of [2-cyclopropyl-4-(4-hydroxyphenyl)-7,8-dihydro-5H-pyrido[4,3-d]pyrimidin-6-yl]-(4-methylphenyl)methanone?
The IUPAC name of [2-cyclopropyl-4-(4-hydroxyphenyl)-7,8-dihydro-5H-pyrido[4,3-d]pyrimidin-6-yl]-(4-methylphenyl)methanone (CID 137299036) is [2-cyclopropyl-4-(4-hydroxyphenyl)-7,8-dihydro-5H-pyrido[4,3-d]pyrimidin-6-yl]-(4-methylphenyl)methanone.
What is the SMILES notation for [2-cyclopropyl-4-(4-hydroxyphenyl)-7,8-dihydro-5H-pyrido[4,3-d]pyrimidin-6-yl]-(4-methylphenyl)methanone?
The canonical SMILES for [2-cyclopropyl-4-(4-hydroxyphenyl)-7,8-dihydro-5H-pyrido[4,3-d]pyrimidin-6-yl]-(4-methylphenyl)methanone is Cc1ccc(C(=O)N2CCc3nc(C4CC4)nc(-c4ccc(O)cc4)c3C2)cc1.
What is the InChIKey of [2-cyclopropyl-4-(4-hydroxyphenyl)-7,8-dihydro-5H-pyrido[4,3-d]pyrimidin-6-yl]-(4-methylphenyl)methanone?
The InChIKey is KAUBOADTLKCQED-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H23N3O2/c1-15-2-4-18(5-3-15)24(29)27-13-12-21-20(14-27)22(16-8-10-19(28)11-9-16)26-23(25-21)17-6-7-17/h2-5,8-11,17,28H,6-7,12-14H2,1H3.
What are the key properties of [2-cyclopropyl-4-(4-hydroxyphenyl)-7,8-dihydro-5H-pyrido[4,3-d]pyrimidin-6-yl]-(4-methylphenyl)methanone?
[2-cyclopropyl-4-(4-hydroxyphenyl)-7,8-dihydro-5H-pyrido[4,3-d]pyrimidin-6-yl]-(4-methylphenyl)methanone has a molecular weight of 385.47 g/mol, XLogP of 4.23, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for [2-cyclopropyl-4-(4-hydroxyphenyl)-7,8-dihydro-5H-pyrido[4,3-d]pyrimidin-6-yl]-(4-methylphenyl)methanone is sourced from PubChem (CID 137299036), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).