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

C22H23N5O2 — CID 146344008

IUPAC6-[2-[4-(1,2-benzoxazol-3-yl)piperidin-1-yl]ethyl]-2-methylpyrido[4,3-d]pyrimidin-5-one
SMILESCc1ncc2c(=O)n(CCN3CCC(c4noc5ccccc45)CC3)ccc2n1
InChIInChI=1S/C22H23N5O2/c1-15-23-14-18-19(24-15)8-11-27(22(18)28)13-12-26-9-6-16(7-10-26)21-17-4-2-3-5-20(17)29-25-21/h2-5,8,11,14,16H,6-7,9-10,12-13H2,1H3
InChIKeyBRNZPYPUEXFLII-UHFFFAOYSA-N
MW389.46 g/mol
LogP3.12
Rot. Bonds4

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

6-[2-[4-(1,2-benzoxazol-3-yl)piperidin-1-yl]ethyl]-2-methylpyrido[4,3-d]pyrimidin-5-one (PubChem CID 146344008) has the molecular formula C22H23N5O2 and a molecular weight of 389.46 g/mol. Its IUPAC name is 6-[2-[4-(1,2-benzoxazol-3-yl)piperidin-1-yl]ethyl]-2-methylpyrido[4,3-d]pyrimidin-5-one.

Molecular Properties

Compound Name6-[2-[4-(1,2-benzoxazol-3-yl)piperidin-1-yl]ethyl]-2-methylpyrido[4,3-d]pyrimidin-5-one
PubChem CID146344008
Molecular FormulaC22H23N5O2
Molecular Weight389.46 g/mol
Exact Mass389.19
IUPAC Name6-[2-[4-(1,2-benzoxazol-3-yl)piperidin-1-yl]ethyl]-2-methylpyrido[4,3-d]pyrimidin-5-one
SMILESCc1ncc2c(=O)n(CCN3CCC(c4noc5ccccc45)CC3)ccc2n1
InChIInChI=1S/C22H23N5O2/c1-15-23-14-18-19(24-15)8-11-27(22(18)28)13-12-26-9-6-16(7-10-26)21-17-4-2-3-5-20(17)29-25-21/h2-5,8,11,14,16H,6-7,9-10,12-13H2,1H3
InChIKeyBRNZPYPUEXFLII-UHFFFAOYSA-N
XLogP3.12
TPSA77.05 Ų
H-Bond Donors
H-Bond Acceptors7
Rotatable Bonds4
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500389.46
LogP ≤ 53.12
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-methylpyrido[4,3-d]pyrimidin-5-one?
The IUPAC name of 6-[2-[4-(1,2-benzoxazol-3-yl)piperidin-1-yl]ethyl]-2-methylpyrido[4,3-d]pyrimidin-5-one (CID 146344008) is 6-[2-[4-(1,2-benzoxazol-3-yl)piperidin-1-yl]ethyl]-2-methylpyrido[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-methylpyrido[4,3-d]pyrimidin-5-one?
The canonical SMILES for 6-[2-[4-(1,2-benzoxazol-3-yl)piperidin-1-yl]ethyl]-2-methylpyrido[4,3-d]pyrimidin-5-one is Cc1ncc2c(=O)n(CCN3CCC(c4noc5ccccc45)CC3)ccc2n1.
What is the InChIKey of 6-[2-[4-(1,2-benzoxazol-3-yl)piperidin-1-yl]ethyl]-2-methylpyrido[4,3-d]pyrimidin-5-one?
The InChIKey is BRNZPYPUEXFLII-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H23N5O2/c1-15-23-14-18-19(24-15)8-11-27(22(18)28)13-12-26-9-6-16(7-10-26)21-17-4-2-3-5-20(17)29-25-21/h2-5,8,11,14,16H,6-7,9-10,12-13H2,1H3.
What are the key properties of 6-[2-[4-(1,2-benzoxazol-3-yl)piperidin-1-yl]ethyl]-2-methylpyrido[4,3-d]pyrimidin-5-one?
6-[2-[4-(1,2-benzoxazol-3-yl)piperidin-1-yl]ethyl]-2-methylpyrido[4,3-d]pyrimidin-5-one has a molecular weight of 389.46 g/mol, XLogP of 3.12, 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-methylpyrido[4,3-d]pyrimidin-5-one is sourced from PubChem (CID 146344008), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).