1-[4-(4-methoxyphenyl)-2-phenyl-7,8-dihydro-5H-pyrido[4,3-d]pyrimidin-6-yl]-2-pyridin-2-ylethanone

C27H24N4O2 — CID 134792509

IUPAC1-[4-(4-methoxyphenyl)-2-phenyl-7,8-dihydro-5H-pyrido[4,3-d]pyrimidin-6-yl]-2-pyridin-2-ylethanone
SMILESCOc1ccc(-c2nc(-c3ccccc3)nc3c2CN(C(=O)Cc2ccccn2)CC3)cc1
InChIInChI=1S/C27H24N4O2/c1-33-22-12-10-19(11-13-22)26-23-18-31(25(32)17-21-9-5-6-15-28-21)16-14-24(23)29-27(30-26)20-7-3-2-4-8-20/h2-13,15H,14,16-18H2,1H3
InChIKeyQNEOGTURPPLVAN-UHFFFAOYSA-N
MW436.52 g/mol
LogP4.34
Rot. Bonds5

About 1-[4-(4-methoxyphenyl)-2-phenyl-7,8-dihydro-5H-pyrido[4,3-d]pyrimidin-6-yl]-2-pyridin-2-ylethanone

1-[4-(4-methoxyphenyl)-2-phenyl-7,8-dihydro-5H-pyrido[4,3-d]pyrimidin-6-yl]-2-pyridin-2-ylethanone (PubChem CID 134792509) has the molecular formula C27H24N4O2 and a molecular weight of 436.52 g/mol. Its IUPAC name is 1-[4-(4-methoxyphenyl)-2-phenyl-7,8-dihydro-5H-pyrido[4,3-d]pyrimidin-6-yl]-2-pyridin-2-ylethanone.

Molecular Properties

Compound Name1-[4-(4-methoxyphenyl)-2-phenyl-7,8-dihydro-5H-pyrido[4,3-d]pyrimidin-6-yl]-2-pyridin-2-ylethanone
PubChem CID134792509
Molecular FormulaC27H24N4O2
Molecular Weight436.52 g/mol
Exact Mass436.19
IUPAC Name1-[4-(4-methoxyphenyl)-2-phenyl-7,8-dihydro-5H-pyrido[4,3-d]pyrimidin-6-yl]-2-pyridin-2-ylethanone
SMILESCOc1ccc(-c2nc(-c3ccccc3)nc3c2CN(C(=O)Cc2ccccn2)CC3)cc1
InChIInChI=1S/C27H24N4O2/c1-33-22-12-10-19(11-13-22)26-23-18-31(25(32)17-21-9-5-6-15-28-21)16-14-24(23)29-27(30-26)20-7-3-2-4-8-20/h2-13,15H,14,16-18H2,1H3
InChIKeyQNEOGTURPPLVAN-UHFFFAOYSA-N
XLogP4.34
TPSA68.21 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms33
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500436.52
LogP ≤ 54.34
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 1-[4-(4-methoxyphenyl)-2-phenyl-7,8-dihydro-5H-pyrido[4,3-d]pyrimidin-6-yl]-2-pyridin-2-ylethanone?
The IUPAC name of 1-[4-(4-methoxyphenyl)-2-phenyl-7,8-dihydro-5H-pyrido[4,3-d]pyrimidin-6-yl]-2-pyridin-2-ylethanone (CID 134792509) is 1-[4-(4-methoxyphenyl)-2-phenyl-7,8-dihydro-5H-pyrido[4,3-d]pyrimidin-6-yl]-2-pyridin-2-ylethanone.
What is the SMILES notation for 1-[4-(4-methoxyphenyl)-2-phenyl-7,8-dihydro-5H-pyrido[4,3-d]pyrimidin-6-yl]-2-pyridin-2-ylethanone?
The canonical SMILES for 1-[4-(4-methoxyphenyl)-2-phenyl-7,8-dihydro-5H-pyrido[4,3-d]pyrimidin-6-yl]-2-pyridin-2-ylethanone is COc1ccc(-c2nc(-c3ccccc3)nc3c2CN(C(=O)Cc2ccccn2)CC3)cc1.
What is the InChIKey of 1-[4-(4-methoxyphenyl)-2-phenyl-7,8-dihydro-5H-pyrido[4,3-d]pyrimidin-6-yl]-2-pyridin-2-ylethanone?
The InChIKey is QNEOGTURPPLVAN-UHFFFAOYSA-N. The full InChI is InChI=1S/C27H24N4O2/c1-33-22-12-10-19(11-13-22)26-23-18-31(25(32)17-21-9-5-6-15-28-21)16-14-24(23)29-27(30-26)20-7-3-2-4-8-20/h2-13,15H,14,16-18H2,1H3.
What are the key properties of 1-[4-(4-methoxyphenyl)-2-phenyl-7,8-dihydro-5H-pyrido[4,3-d]pyrimidin-6-yl]-2-pyridin-2-ylethanone?
1-[4-(4-methoxyphenyl)-2-phenyl-7,8-dihydro-5H-pyrido[4,3-d]pyrimidin-6-yl]-2-pyridin-2-ylethanone has a molecular weight of 436.52 g/mol, XLogP of 4.34, 5 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[4-(4-methoxyphenyl)-2-phenyl-7,8-dihydro-5H-pyrido[4,3-d]pyrimidin-6-yl]-2-pyridin-2-ylethanone is sourced from PubChem (CID 134792509), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).