6-(4-phenylmethoxyphenyl)-2-pyridin-2-yl-7,8-dihydro-5H-pyrido[4,3-d]pyrimidine

C25H22N4O — CID 121455922

IUPAC6-(4-phenylmethoxyphenyl)-2-pyridin-2-yl-7,8-dihydro-5H-pyrido[4,3-d]pyrimidine
SMILESc1ccc(COc2ccc(N3CCc4nc(-c5ccccn5)ncc4C3)cc2)cc1
InChIInChI=1S/C25H22N4O/c1-2-6-19(7-3-1)18-30-22-11-9-21(10-12-22)29-15-13-23-20(17-29)16-27-25(28-23)24-8-4-5-14-26-24/h1-12,14,16H,13,15,17-18H2
InChIKeySPBIZYBHHXURSP-UHFFFAOYSA-N
MW394.48 g/mol
LogP4.68
Rot. Bonds5

About 6-(4-phenylmethoxyphenyl)-2-pyridin-2-yl-7,8-dihydro-5H-pyrido[4,3-d]pyrimidine

6-(4-phenylmethoxyphenyl)-2-pyridin-2-yl-7,8-dihydro-5H-pyrido[4,3-d]pyrimidine (PubChem CID 121455922) has the molecular formula C25H22N4O and a molecular weight of 394.48 g/mol. Its IUPAC name is 6-(4-phenylmethoxyphenyl)-2-pyridin-2-yl-7,8-dihydro-5H-pyrido[4,3-d]pyrimidine.

Molecular Properties

Compound Name6-(4-phenylmethoxyphenyl)-2-pyridin-2-yl-7,8-dihydro-5H-pyrido[4,3-d]pyrimidine
PubChem CID121455922
Molecular FormulaC25H22N4O
Molecular Weight394.48 g/mol
Exact Mass394.18
IUPAC Name6-(4-phenylmethoxyphenyl)-2-pyridin-2-yl-7,8-dihydro-5H-pyrido[4,3-d]pyrimidine
SMILESc1ccc(COc2ccc(N3CCc4nc(-c5ccccn5)ncc4C3)cc2)cc1
InChIInChI=1S/C25H22N4O/c1-2-6-19(7-3-1)18-30-22-11-9-21(10-12-22)29-15-13-23-20(17-29)16-27-25(28-23)24-8-4-5-14-26-24/h1-12,14,16H,13,15,17-18H2
InChIKeySPBIZYBHHXURSP-UHFFFAOYSA-N
XLogP4.68
TPSA51.14 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500394.48
LogP ≤ 54.68
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'anil_di_alk_C(246)', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 6-(4-phenylmethoxyphenyl)-2-pyridin-2-yl-7,8-dihydro-5H-pyrido[4,3-d]pyrimidine?
The IUPAC name of 6-(4-phenylmethoxyphenyl)-2-pyridin-2-yl-7,8-dihydro-5H-pyrido[4,3-d]pyrimidine (CID 121455922) is 6-(4-phenylmethoxyphenyl)-2-pyridin-2-yl-7,8-dihydro-5H-pyrido[4,3-d]pyrimidine.
What is the SMILES notation for 6-(4-phenylmethoxyphenyl)-2-pyridin-2-yl-7,8-dihydro-5H-pyrido[4,3-d]pyrimidine?
The canonical SMILES for 6-(4-phenylmethoxyphenyl)-2-pyridin-2-yl-7,8-dihydro-5H-pyrido[4,3-d]pyrimidine is c1ccc(COc2ccc(N3CCc4nc(-c5ccccn5)ncc4C3)cc2)cc1.
What is the InChIKey of 6-(4-phenylmethoxyphenyl)-2-pyridin-2-yl-7,8-dihydro-5H-pyrido[4,3-d]pyrimidine?
The InChIKey is SPBIZYBHHXURSP-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H22N4O/c1-2-6-19(7-3-1)18-30-22-11-9-21(10-12-22)29-15-13-23-20(17-29)16-27-25(28-23)24-8-4-5-14-26-24/h1-12,14,16H,13,15,17-18H2.
What are the key properties of 6-(4-phenylmethoxyphenyl)-2-pyridin-2-yl-7,8-dihydro-5H-pyrido[4,3-d]pyrimidine?
6-(4-phenylmethoxyphenyl)-2-pyridin-2-yl-7,8-dihydro-5H-pyrido[4,3-d]pyrimidine has a molecular weight of 394.48 g/mol, XLogP of 4.68, 5 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 6-(4-phenylmethoxyphenyl)-2-pyridin-2-yl-7,8-dihydro-5H-pyrido[4,3-d]pyrimidine is sourced from PubChem (CID 121455922), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).