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

C24H22FN3O2 — CID 134790138

IUPAC[2-cyclopropyl-4-(4-methoxyphenyl)-7,8-dihydro-5H-pyrido[4,3-d]pyrimidin-6-yl]-(2-fluorophenyl)methanone
SMILESCOc1ccc(-c2nc(C3CC3)nc3c2CN(C(=O)c2ccccc2F)CC3)cc1
InChIInChI=1S/C24H22FN3O2/c1-30-17-10-8-15(9-11-17)22-19-14-28(24(29)18-4-2-3-5-20(18)25)13-12-21(19)26-23(27-22)16-6-7-16/h2-5,8-11,16H,6-7,12-14H2,1H3
InChIKeyXSYCFCHLPGJYJJ-UHFFFAOYSA-N
MW403.46 g/mol
LogP4.37
Rot. Bonds4

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

[2-cyclopropyl-4-(4-methoxyphenyl)-7,8-dihydro-5H-pyrido[4,3-d]pyrimidin-6-yl]-(2-fluorophenyl)methanone (PubChem CID 134790138) has the molecular formula C24H22FN3O2 and a molecular weight of 403.46 g/mol. Its IUPAC name is [2-cyclopropyl-4-(4-methoxyphenyl)-7,8-dihydro-5H-pyrido[4,3-d]pyrimidin-6-yl]-(2-fluorophenyl)methanone.

Molecular Properties

Compound Name[2-cyclopropyl-4-(4-methoxyphenyl)-7,8-dihydro-5H-pyrido[4,3-d]pyrimidin-6-yl]-(2-fluorophenyl)methanone
PubChem CID134790138
Molecular FormulaC24H22FN3O2
Molecular Weight403.46 g/mol
Exact Mass403.17
IUPAC Name[2-cyclopropyl-4-(4-methoxyphenyl)-7,8-dihydro-5H-pyrido[4,3-d]pyrimidin-6-yl]-(2-fluorophenyl)methanone
SMILESCOc1ccc(-c2nc(C3CC3)nc3c2CN(C(=O)c2ccccc2F)CC3)cc1
InChIInChI=1S/C24H22FN3O2/c1-30-17-10-8-15(9-11-17)22-19-14-28(24(29)18-4-2-3-5-20(18)25)13-12-21(19)26-23(27-22)16-6-7-16/h2-5,8-11,16H,6-7,12-14H2,1H3
InChIKeyXSYCFCHLPGJYJJ-UHFFFAOYSA-N
XLogP4.37
TPSA55.32 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500403.46
LogP ≤ 54.37
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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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-fluorophenyl)methanone?
The IUPAC name of [2-cyclopropyl-4-(4-methoxyphenyl)-7,8-dihydro-5H-pyrido[4,3-d]pyrimidin-6-yl]-(2-fluorophenyl)methanone (CID 134790138) is [2-cyclopropyl-4-(4-methoxyphenyl)-7,8-dihydro-5H-pyrido[4,3-d]pyrimidin-6-yl]-(2-fluorophenyl)methanone.
What is the SMILES notation for [2-cyclopropyl-4-(4-methoxyphenyl)-7,8-dihydro-5H-pyrido[4,3-d]pyrimidin-6-yl]-(2-fluorophenyl)methanone?
The canonical SMILES for [2-cyclopropyl-4-(4-methoxyphenyl)-7,8-dihydro-5H-pyrido[4,3-d]pyrimidin-6-yl]-(2-fluorophenyl)methanone is COc1ccc(-c2nc(C3CC3)nc3c2CN(C(=O)c2ccccc2F)CC3)cc1.
What is the InChIKey of [2-cyclopropyl-4-(4-methoxyphenyl)-7,8-dihydro-5H-pyrido[4,3-d]pyrimidin-6-yl]-(2-fluorophenyl)methanone?
The InChIKey is XSYCFCHLPGJYJJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H22FN3O2/c1-30-17-10-8-15(9-11-17)22-19-14-28(24(29)18-4-2-3-5-20(18)25)13-12-21(19)26-23(27-22)16-6-7-16/h2-5,8-11,16H,6-7,12-14H2,1H3.
What are the key properties of [2-cyclopropyl-4-(4-methoxyphenyl)-7,8-dihydro-5H-pyrido[4,3-d]pyrimidin-6-yl]-(2-fluorophenyl)methanone?
[2-cyclopropyl-4-(4-methoxyphenyl)-7,8-dihydro-5H-pyrido[4,3-d]pyrimidin-6-yl]-(2-fluorophenyl)methanone has a molecular weight of 403.46 g/mol, XLogP of 4.37, 4 rotatable bonds, 0 hydrogen bond donors, and 4 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-fluorophenyl)methanone is sourced from PubChem (CID 134790138), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).