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

C24H25N5O2 — CID 171387661

IUPAC2-phenyl-4-[4-(pyridin-2-ylmethoxy)piperidin-1-yl]-6,7-dihydro-5H-pyrido[3,4-d]pyrimidin-8-one
SMILESO=C1NCCc2c1nc(-c1ccccc1)nc2N1CCC(OCc2ccccn2)CC1
InChIInChI=1S/C24H25N5O2/c30-24-21-20(9-13-26-24)23(28-22(27-21)17-6-2-1-3-7-17)29-14-10-19(11-15-29)31-16-18-8-4-5-12-25-18/h1-8,12,19H,9-11,13-16H2,(H,26,30)
InChIKeyAPVHJZHUDJUTPY-UHFFFAOYSA-N
MW415.50 g/mol
LogP3.01
Rot. Bonds5

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

2-phenyl-4-[4-(pyridin-2-ylmethoxy)piperidin-1-yl]-6,7-dihydro-5H-pyrido[3,4-d]pyrimidin-8-one (PubChem CID 171387661) has the molecular formula C24H25N5O2 and a molecular weight of 415.50 g/mol. Its IUPAC name is 2-phenyl-4-[4-(pyridin-2-ylmethoxy)piperidin-1-yl]-6,7-dihydro-5H-pyrido[3,4-d]pyrimidin-8-one.

Molecular Properties

Compound Name2-phenyl-4-[4-(pyridin-2-ylmethoxy)piperidin-1-yl]-6,7-dihydro-5H-pyrido[3,4-d]pyrimidin-8-one
PubChem CID171387661
Molecular FormulaC24H25N5O2
Molecular Weight415.50 g/mol
Exact Mass415.20
IUPAC Name2-phenyl-4-[4-(pyridin-2-ylmethoxy)piperidin-1-yl]-6,7-dihydro-5H-pyrido[3,4-d]pyrimidin-8-one
SMILESO=C1NCCc2c1nc(-c1ccccc1)nc2N1CCC(OCc2ccccn2)CC1
InChIInChI=1S/C24H25N5O2/c30-24-21-20(9-13-26-24)23(28-22(27-21)17-6-2-1-3-7-17)29-14-10-19(11-15-29)31-16-18-8-4-5-12-25-18/h1-8,12,19H,9-11,13-16H2,(H,26,30)
InChIKeyAPVHJZHUDJUTPY-UHFFFAOYSA-N
XLogP3.01
TPSA80.24 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms31
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500415.50
LogP ≤ 53.01
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of 2-phenyl-4-[4-(pyridin-2-ylmethoxy)piperidin-1-yl]-6,7-dihydro-5H-pyrido[3,4-d]pyrimidin-8-one?
The IUPAC name of 2-phenyl-4-[4-(pyridin-2-ylmethoxy)piperidin-1-yl]-6,7-dihydro-5H-pyrido[3,4-d]pyrimidin-8-one (CID 171387661) is 2-phenyl-4-[4-(pyridin-2-ylmethoxy)piperidin-1-yl]-6,7-dihydro-5H-pyrido[3,4-d]pyrimidin-8-one.
What is the SMILES notation for 2-phenyl-4-[4-(pyridin-2-ylmethoxy)piperidin-1-yl]-6,7-dihydro-5H-pyrido[3,4-d]pyrimidin-8-one?
The canonical SMILES for 2-phenyl-4-[4-(pyridin-2-ylmethoxy)piperidin-1-yl]-6,7-dihydro-5H-pyrido[3,4-d]pyrimidin-8-one is O=C1NCCc2c1nc(-c1ccccc1)nc2N1CCC(OCc2ccccn2)CC1.
What is the InChIKey of 2-phenyl-4-[4-(pyridin-2-ylmethoxy)piperidin-1-yl]-6,7-dihydro-5H-pyrido[3,4-d]pyrimidin-8-one?
The InChIKey is APVHJZHUDJUTPY-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H25N5O2/c30-24-21-20(9-13-26-24)23(28-22(27-21)17-6-2-1-3-7-17)29-14-10-19(11-15-29)31-16-18-8-4-5-12-25-18/h1-8,12,19H,9-11,13-16H2,(H,26,30).
What are the key properties of 2-phenyl-4-[4-(pyridin-2-ylmethoxy)piperidin-1-yl]-6,7-dihydro-5H-pyrido[3,4-d]pyrimidin-8-one?
2-phenyl-4-[4-(pyridin-2-ylmethoxy)piperidin-1-yl]-6,7-dihydro-5H-pyrido[3,4-d]pyrimidin-8-one has a molecular weight of 415.50 g/mol, XLogP of 3.01, 5 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2-phenyl-4-[4-(pyridin-2-ylmethoxy)piperidin-1-yl]-6,7-dihydro-5H-pyrido[3,4-d]pyrimidin-8-one is sourced from PubChem (CID 171387661), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).