3-[2-[4-(6-fluoro-1,2-benzoxazol-3-yl)piperidin-1-yl]ethyl]-2-methyl-7,8-dihydro-6H-pyrido[1,2-a]pyrimidine-4,9-dione

C23H25FN4O3 — CID 44608359

IUPAC3-[2-[4-(6-fluoro-1,2-benzoxazol-3-yl)piperidin-1-yl]ethyl]-2-methyl-7,8-dihydro-6H-pyrido[1,2-a]pyrimidine-4,9-dione
SMILESCc1nc2n(c(=O)c1CCN1CCC(c3noc4cc(F)ccc34)CC1)CCCC2=O
InChIInChI=1S/C23H25FN4O3/c1-14-17(23(30)28-9-2-3-19(29)22(28)25-14)8-12-27-10-6-15(7-11-27)21-18-5-4-16(24)13-20(18)31-26-21/h4-5,13,15H,2-3,6-12H2,1H3
InChIKeyAUSFXKQDZJPCTA-UHFFFAOYSA-N
MW424.48 g/mol
LogP3.23
Rot. Bonds4

About 3-[2-[4-(6-fluoro-1,2-benzoxazol-3-yl)piperidin-1-yl]ethyl]-2-methyl-7,8-dihydro-6H-pyrido[1,2-a]pyrimidine-4,9-dione

3-[2-[4-(6-fluoro-1,2-benzoxazol-3-yl)piperidin-1-yl]ethyl]-2-methyl-7,8-dihydro-6H-pyrido[1,2-a]pyrimidine-4,9-dione (PubChem CID 44608359) has the molecular formula C23H25FN4O3 and a molecular weight of 424.48 g/mol. Its IUPAC name is 3-[2-[4-(6-fluoro-1,2-benzoxazol-3-yl)piperidin-1-yl]ethyl]-2-methyl-7,8-dihydro-6H-pyrido[1,2-a]pyrimidine-4,9-dione.

Molecular Properties

Compound Name3-[2-[4-(6-fluoro-1,2-benzoxazol-3-yl)piperidin-1-yl]ethyl]-2-methyl-7,8-dihydro-6H-pyrido[1,2-a]pyrimidine-4,9-dione
PubChem CID44608359
Molecular FormulaC23H25FN4O3
Molecular Weight424.48 g/mol
Exact Mass424.19
IUPAC Name3-[2-[4-(6-fluoro-1,2-benzoxazol-3-yl)piperidin-1-yl]ethyl]-2-methyl-7,8-dihydro-6H-pyrido[1,2-a]pyrimidine-4,9-dione
SMILESCc1nc2n(c(=O)c1CCN1CCC(c3noc4cc(F)ccc34)CC1)CCCC2=O
InChIInChI=1S/C23H25FN4O3/c1-14-17(23(30)28-9-2-3-19(29)22(28)25-14)8-12-27-10-6-15(7-11-27)21-18-5-4-16(24)13-20(18)31-26-21/h4-5,13,15H,2-3,6-12H2,1H3
InChIKeyAUSFXKQDZJPCTA-UHFFFAOYSA-N
XLogP3.23
TPSA81.23 Ų
H-Bond Donors
H-Bond Acceptors7
Rotatable Bonds4
Heavy Atoms31
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500424.48
LogP ≤ 53.23
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 107

Analyze 3-[2-[4-(6-fluoro-1,2-benzoxazol-3-yl)piperidin-1-yl]ethyl]-2-methyl-7,8-dihydro-6H-pyrido[1,2-a]pyrimidine-4,9-dione with MolForge

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Frequently Asked Questions

What is the IUPAC name of 3-[2-[4-(6-fluoro-1,2-benzoxazol-3-yl)piperidin-1-yl]ethyl]-2-methyl-7,8-dihydro-6H-pyrido[1,2-a]pyrimidine-4,9-dione?
The IUPAC name of 3-[2-[4-(6-fluoro-1,2-benzoxazol-3-yl)piperidin-1-yl]ethyl]-2-methyl-7,8-dihydro-6H-pyrido[1,2-a]pyrimidine-4,9-dione (CID 44608359) is 3-[2-[4-(6-fluoro-1,2-benzoxazol-3-yl)piperidin-1-yl]ethyl]-2-methyl-7,8-dihydro-6H-pyrido[1,2-a]pyrimidine-4,9-dione.
What is the SMILES notation for 3-[2-[4-(6-fluoro-1,2-benzoxazol-3-yl)piperidin-1-yl]ethyl]-2-methyl-7,8-dihydro-6H-pyrido[1,2-a]pyrimidine-4,9-dione?
The canonical SMILES for 3-[2-[4-(6-fluoro-1,2-benzoxazol-3-yl)piperidin-1-yl]ethyl]-2-methyl-7,8-dihydro-6H-pyrido[1,2-a]pyrimidine-4,9-dione is Cc1nc2n(c(=O)c1CCN1CCC(c3noc4cc(F)ccc34)CC1)CCCC2=O.
What is the InChIKey of 3-[2-[4-(6-fluoro-1,2-benzoxazol-3-yl)piperidin-1-yl]ethyl]-2-methyl-7,8-dihydro-6H-pyrido[1,2-a]pyrimidine-4,9-dione?
The InChIKey is AUSFXKQDZJPCTA-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H25FN4O3/c1-14-17(23(30)28-9-2-3-19(29)22(28)25-14)8-12-27-10-6-15(7-11-27)21-18-5-4-16(24)13-20(18)31-26-21/h4-5,13,15H,2-3,6-12H2,1H3.
What are the key properties of 3-[2-[4-(6-fluoro-1,2-benzoxazol-3-yl)piperidin-1-yl]ethyl]-2-methyl-7,8-dihydro-6H-pyrido[1,2-a]pyrimidine-4,9-dione?
3-[2-[4-(6-fluoro-1,2-benzoxazol-3-yl)piperidin-1-yl]ethyl]-2-methyl-7,8-dihydro-6H-pyrido[1,2-a]pyrimidine-4,9-dione has a molecular weight of 424.48 g/mol, XLogP of 3.23, 4 rotatable bonds, 0 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[2-[4-(6-fluoro-1,2-benzoxazol-3-yl)piperidin-1-yl]ethyl]-2-methyl-7,8-dihydro-6H-pyrido[1,2-a]pyrimidine-4,9-dione is sourced from PubChem (CID 44608359), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).