6-[2-[4-(1,2-benzoxazol-3-yl)piperidin-1-yl]ethyl]-2,4-dimethylpyrido[4,3-d]pyrimidin-5-one

C23H25N5O2 — CID 146343524

IUPAC6-[2-[4-(1,2-benzoxazol-3-yl)piperidin-1-yl]ethyl]-2,4-dimethylpyrido[4,3-d]pyrimidin-5-one
SMILESCc1nc(C)c2c(=O)n(CCN3CCC(c4noc5ccccc45)CC3)ccc2n1
InChIInChI=1S/C23H25N5O2/c1-15-21-19(25-16(2)24-15)9-12-28(23(21)29)14-13-27-10-7-17(8-11-27)22-18-5-3-4-6-20(18)30-26-22/h3-6,9,12,17H,7-8,10-11,13-14H2,1-2H3
InChIKeyGGVUEVREVDZKOF-UHFFFAOYSA-N
MW403.49 g/mol
LogP3.43
Rot. Bonds4

About 6-[2-[4-(1,2-benzoxazol-3-yl)piperidin-1-yl]ethyl]-2,4-dimethylpyrido[4,3-d]pyrimidin-5-one

6-[2-[4-(1,2-benzoxazol-3-yl)piperidin-1-yl]ethyl]-2,4-dimethylpyrido[4,3-d]pyrimidin-5-one (PubChem CID 146343524) has the molecular formula C23H25N5O2 and a molecular weight of 403.49 g/mol. Its IUPAC name is 6-[2-[4-(1,2-benzoxazol-3-yl)piperidin-1-yl]ethyl]-2,4-dimethylpyrido[4,3-d]pyrimidin-5-one.

Molecular Properties

Compound Name6-[2-[4-(1,2-benzoxazol-3-yl)piperidin-1-yl]ethyl]-2,4-dimethylpyrido[4,3-d]pyrimidin-5-one
PubChem CID146343524
Molecular FormulaC23H25N5O2
Molecular Weight403.49 g/mol
Exact Mass403.20
IUPAC Name6-[2-[4-(1,2-benzoxazol-3-yl)piperidin-1-yl]ethyl]-2,4-dimethylpyrido[4,3-d]pyrimidin-5-one
SMILESCc1nc(C)c2c(=O)n(CCN3CCC(c4noc5ccccc45)CC3)ccc2n1
InChIInChI=1S/C23H25N5O2/c1-15-21-19(25-16(2)24-15)9-12-28(23(21)29)14-13-27-10-7-17(8-11-27)22-18-5-3-4-6-20(18)30-26-22/h3-6,9,12,17H,7-8,10-11,13-14H2,1-2H3
InChIKeyGGVUEVREVDZKOF-UHFFFAOYSA-N
XLogP3.43
TPSA77.05 Ų
H-Bond Donors
H-Bond Acceptors7
Rotatable Bonds4
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500403.49
LogP ≤ 53.43
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 107

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Frequently Asked Questions

What is the IUPAC name of 6-[2-[4-(1,2-benzoxazol-3-yl)piperidin-1-yl]ethyl]-2,4-dimethylpyrido[4,3-d]pyrimidin-5-one?
The IUPAC name of 6-[2-[4-(1,2-benzoxazol-3-yl)piperidin-1-yl]ethyl]-2,4-dimethylpyrido[4,3-d]pyrimidin-5-one (CID 146343524) is 6-[2-[4-(1,2-benzoxazol-3-yl)piperidin-1-yl]ethyl]-2,4-dimethylpyrido[4,3-d]pyrimidin-5-one.
What is the SMILES notation for 6-[2-[4-(1,2-benzoxazol-3-yl)piperidin-1-yl]ethyl]-2,4-dimethylpyrido[4,3-d]pyrimidin-5-one?
The canonical SMILES for 6-[2-[4-(1,2-benzoxazol-3-yl)piperidin-1-yl]ethyl]-2,4-dimethylpyrido[4,3-d]pyrimidin-5-one is Cc1nc(C)c2c(=O)n(CCN3CCC(c4noc5ccccc45)CC3)ccc2n1.
What is the InChIKey of 6-[2-[4-(1,2-benzoxazol-3-yl)piperidin-1-yl]ethyl]-2,4-dimethylpyrido[4,3-d]pyrimidin-5-one?
The InChIKey is GGVUEVREVDZKOF-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H25N5O2/c1-15-21-19(25-16(2)24-15)9-12-28(23(21)29)14-13-27-10-7-17(8-11-27)22-18-5-3-4-6-20(18)30-26-22/h3-6,9,12,17H,7-8,10-11,13-14H2,1-2H3.
What are the key properties of 6-[2-[4-(1,2-benzoxazol-3-yl)piperidin-1-yl]ethyl]-2,4-dimethylpyrido[4,3-d]pyrimidin-5-one?
6-[2-[4-(1,2-benzoxazol-3-yl)piperidin-1-yl]ethyl]-2,4-dimethylpyrido[4,3-d]pyrimidin-5-one has a molecular weight of 403.49 g/mol, XLogP of 3.43, 4 rotatable bonds, 0 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 6-[2-[4-(1,2-benzoxazol-3-yl)piperidin-1-yl]ethyl]-2,4-dimethylpyrido[4,3-d]pyrimidin-5-one is sourced from PubChem (CID 146343524), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).