6-(6-methoxy-5-methyl-3-pyridinyl)-4-[2-(1-methylpiperidin-4-yl)oxy-4-pyridinyl]-7,8-dihydro-5H-pyrido[4,3-d]pyrimidine

C25H30N6O2 — CID 155527103

IUPAC6-(6-methoxy-5-methyl-3-pyridinyl)-4-[2-(1-methylpiperidin-4-yl)oxy-4-pyridinyl]-7,8-dihydro-5H-pyrido[4,3-d]pyrimidine
SMILESCOc1ncc(N2CCc3ncnc(-c4ccnc(OC5CCN(C)CC5)c4)c3C2)cc1C
InChIInChI=1S/C25H30N6O2/c1-17-12-19(14-27-25(17)32-3)31-11-7-22-21(15-31)24(29-16-28-22)18-4-8-26-23(13-18)33-20-5-9-30(2)10-6-20/h4,8,12-14,16,20H,5-7,9-11,15H2,1-3H3
InChIKeyIGXLILDZYBTDND-UHFFFAOYSA-N
MW446.56 g/mol
LogP3.29
Rot. Bonds5

About 6-(6-methoxy-5-methyl-3-pyridinyl)-4-[2-(1-methylpiperidin-4-yl)oxy-4-pyridinyl]-7,8-dihydro-5H-pyrido[4,3-d]pyrimidine

6-(6-methoxy-5-methyl-3-pyridinyl)-4-[2-(1-methylpiperidin-4-yl)oxy-4-pyridinyl]-7,8-dihydro-5H-pyrido[4,3-d]pyrimidine (PubChem CID 155527103) has the molecular formula C25H30N6O2 and a molecular weight of 446.56 g/mol. Its IUPAC name is 6-(6-methoxy-5-methyl-3-pyridinyl)-4-[2-(1-methylpiperidin-4-yl)oxy-4-pyridinyl]-7,8-dihydro-5H-pyrido[4,3-d]pyrimidine.

Molecular Properties

Compound Name6-(6-methoxy-5-methyl-3-pyridinyl)-4-[2-(1-methylpiperidin-4-yl)oxy-4-pyridinyl]-7,8-dihydro-5H-pyrido[4,3-d]pyrimidine
PubChem CID155527103
Molecular FormulaC25H30N6O2
Molecular Weight446.56 g/mol
Exact Mass446.24
IUPAC Name6-(6-methoxy-5-methyl-3-pyridinyl)-4-[2-(1-methylpiperidin-4-yl)oxy-4-pyridinyl]-7,8-dihydro-5H-pyrido[4,3-d]pyrimidine
SMILESCOc1ncc(N2CCc3ncnc(-c4ccnc(OC5CCN(C)CC5)c4)c3C2)cc1C
InChIInChI=1S/C25H30N6O2/c1-17-12-19(14-27-25(17)32-3)31-11-7-22-21(15-31)24(29-16-28-22)18-4-8-26-23(13-18)33-20-5-9-30(2)10-6-20/h4,8,12-14,16,20H,5-7,9-11,15H2,1-3H3
InChIKeyIGXLILDZYBTDND-UHFFFAOYSA-N
XLogP3.29
TPSA76.50 Ų
H-Bond Donors
H-Bond Acceptors8
Rotatable Bonds5
Heavy Atoms33
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500446.56
LogP ≤ 53.29
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 108

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Frequently Asked Questions

What is the IUPAC name of 6-(6-methoxy-5-methyl-3-pyridinyl)-4-[2-(1-methylpiperidin-4-yl)oxy-4-pyridinyl]-7,8-dihydro-5H-pyrido[4,3-d]pyrimidine?
The IUPAC name of 6-(6-methoxy-5-methyl-3-pyridinyl)-4-[2-(1-methylpiperidin-4-yl)oxy-4-pyridinyl]-7,8-dihydro-5H-pyrido[4,3-d]pyrimidine (CID 155527103) is 6-(6-methoxy-5-methyl-3-pyridinyl)-4-[2-(1-methylpiperidin-4-yl)oxy-4-pyridinyl]-7,8-dihydro-5H-pyrido[4,3-d]pyrimidine.
What is the SMILES notation for 6-(6-methoxy-5-methyl-3-pyridinyl)-4-[2-(1-methylpiperidin-4-yl)oxy-4-pyridinyl]-7,8-dihydro-5H-pyrido[4,3-d]pyrimidine?
The canonical SMILES for 6-(6-methoxy-5-methyl-3-pyridinyl)-4-[2-(1-methylpiperidin-4-yl)oxy-4-pyridinyl]-7,8-dihydro-5H-pyrido[4,3-d]pyrimidine is COc1ncc(N2CCc3ncnc(-c4ccnc(OC5CCN(C)CC5)c4)c3C2)cc1C.
What is the InChIKey of 6-(6-methoxy-5-methyl-3-pyridinyl)-4-[2-(1-methylpiperidin-4-yl)oxy-4-pyridinyl]-7,8-dihydro-5H-pyrido[4,3-d]pyrimidine?
The InChIKey is IGXLILDZYBTDND-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H30N6O2/c1-17-12-19(14-27-25(17)32-3)31-11-7-22-21(15-31)24(29-16-28-22)18-4-8-26-23(13-18)33-20-5-9-30(2)10-6-20/h4,8,12-14,16,20H,5-7,9-11,15H2,1-3H3.
What are the key properties of 6-(6-methoxy-5-methyl-3-pyridinyl)-4-[2-(1-methylpiperidin-4-yl)oxy-4-pyridinyl]-7,8-dihydro-5H-pyrido[4,3-d]pyrimidine?
6-(6-methoxy-5-methyl-3-pyridinyl)-4-[2-(1-methylpiperidin-4-yl)oxy-4-pyridinyl]-7,8-dihydro-5H-pyrido[4,3-d]pyrimidine has a molecular weight of 446.56 g/mol, XLogP of 3.29, 5 rotatable bonds, 0 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for 6-(6-methoxy-5-methyl-3-pyridinyl)-4-[2-(1-methylpiperidin-4-yl)oxy-4-pyridinyl]-7,8-dihydro-5H-pyrido[4,3-d]pyrimidine is sourced from PubChem (CID 155527103), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).