3-[2-[4-[6-[4-(6-fluoro-1,2-benzoxazol-3-yl)piperidin-1-yl]-1,2-benzoxazol-3-yl]piperidin-1-yl]ethyl]-2-methyl-6,7,8,9-tetrahydropyrido[1,2-a]pyrimidin-4-one

C35H39FN6O3 — CID 59017607

IUPAC3-[2-[4-[6-[4-(6-fluoro-1,2-benzoxazol-3-yl)piperidin-1-yl]-1,2-benzoxazol-3-yl]piperidin-1-yl]ethyl]-2-methyl-6,7,8,9-tetrahydropyrido[1,2-a]pyrimidin-4-one
SMILESCc1nc2n(c(=O)c1CCN1CCC(c3noc4cc(N5CCC(c6noc7cc(F)ccc67)CC5)ccc34)CC1)CCCC2
InChIInChI=1S/C35H39FN6O3/c1-22-27(35(43)42-14-3-2-4-32(42)37-22)13-17-40-15-9-23(10-16-40)33-29-8-6-26(21-31(29)45-39-33)41-18-11-24(12-19-41)34-28-7-5-25(36)20-30(28)44-38-34/h5-8,20-21,23-24H,2-4,9-19H2,1H3
InChIKeyNQZVHYABJBXBRI-UHFFFAOYSA-N
MW610.73 g/mol
LogP6.12
Rot. Bonds6

About 3-[2-[4-[6-[4-(6-fluoro-1,2-benzoxazol-3-yl)piperidin-1-yl]-1,2-benzoxazol-3-yl]piperidin-1-yl]ethyl]-2-methyl-6,7,8,9-tetrahydropyrido[1,2-a]pyrimidin-4-one

3-[2-[4-[6-[4-(6-fluoro-1,2-benzoxazol-3-yl)piperidin-1-yl]-1,2-benzoxazol-3-yl]piperidin-1-yl]ethyl]-2-methyl-6,7,8,9-tetrahydropyrido[1,2-a]pyrimidin-4-one (PubChem CID 59017607) has the molecular formula C35H39FN6O3 and a molecular weight of 610.73 g/mol. Its IUPAC name is 3-[2-[4-[6-[4-(6-fluoro-1,2-benzoxazol-3-yl)piperidin-1-yl]-1,2-benzoxazol-3-yl]piperidin-1-yl]ethyl]-2-methyl-6,7,8,9-tetrahydropyrido[1,2-a]pyrimidin-4-one.

Molecular Properties

Compound Name3-[2-[4-[6-[4-(6-fluoro-1,2-benzoxazol-3-yl)piperidin-1-yl]-1,2-benzoxazol-3-yl]piperidin-1-yl]ethyl]-2-methyl-6,7,8,9-tetrahydropyrido[1,2-a]pyrimidin-4-one
PubChem CID59017607
Molecular FormulaC35H39FN6O3
Molecular Weight610.73 g/mol
Exact Mass610.31
IUPAC Name3-[2-[4-[6-[4-(6-fluoro-1,2-benzoxazol-3-yl)piperidin-1-yl]-1,2-benzoxazol-3-yl]piperidin-1-yl]ethyl]-2-methyl-6,7,8,9-tetrahydropyrido[1,2-a]pyrimidin-4-one
SMILESCc1nc2n(c(=O)c1CCN1CCC(c3noc4cc(N5CCC(c6noc7cc(F)ccc67)CC5)ccc34)CC1)CCCC2
InChIInChI=1S/C35H39FN6O3/c1-22-27(35(43)42-14-3-2-4-32(42)37-22)13-17-40-15-9-23(10-16-40)33-29-8-6-26(21-31(29)45-39-33)41-18-11-24(12-19-41)34-28-7-5-25(36)20-30(28)44-38-34/h5-8,20-21,23-24H,2-4,9-19H2,1H3
InChIKeyNQZVHYABJBXBRI-UHFFFAOYSA-N
XLogP6.12
TPSA93.43 Ų
H-Bond Donors
H-Bond Acceptors9
Rotatable Bonds6
Heavy Atoms45
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500610.73
LogP ≤ 56.12
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 109

Analyze 3-[2-[4-[6-[4-(6-fluoro-1,2-benzoxazol-3-yl)piperidin-1-yl]-1,2-benzoxazol-3-yl]piperidin-1-yl]ethyl]-2-methyl-6,7,8,9-tetrahydropyrido[1,2-a]pyrimidin-4-one with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of 3-[2-[4-[6-[4-(6-fluoro-1,2-benzoxazol-3-yl)piperidin-1-yl]-1,2-benzoxazol-3-yl]piperidin-1-yl]ethyl]-2-methyl-6,7,8,9-tetrahydropyrido[1,2-a]pyrimidin-4-one?
The IUPAC name of 3-[2-[4-[6-[4-(6-fluoro-1,2-benzoxazol-3-yl)piperidin-1-yl]-1,2-benzoxazol-3-yl]piperidin-1-yl]ethyl]-2-methyl-6,7,8,9-tetrahydropyrido[1,2-a]pyrimidin-4-one (CID 59017607) is 3-[2-[4-[6-[4-(6-fluoro-1,2-benzoxazol-3-yl)piperidin-1-yl]-1,2-benzoxazol-3-yl]piperidin-1-yl]ethyl]-2-methyl-6,7,8,9-tetrahydropyrido[1,2-a]pyrimidin-4-one.
What is the SMILES notation for 3-[2-[4-[6-[4-(6-fluoro-1,2-benzoxazol-3-yl)piperidin-1-yl]-1,2-benzoxazol-3-yl]piperidin-1-yl]ethyl]-2-methyl-6,7,8,9-tetrahydropyrido[1,2-a]pyrimidin-4-one?
The canonical SMILES for 3-[2-[4-[6-[4-(6-fluoro-1,2-benzoxazol-3-yl)piperidin-1-yl]-1,2-benzoxazol-3-yl]piperidin-1-yl]ethyl]-2-methyl-6,7,8,9-tetrahydropyrido[1,2-a]pyrimidin-4-one is Cc1nc2n(c(=O)c1CCN1CCC(c3noc4cc(N5CCC(c6noc7cc(F)ccc67)CC5)ccc34)CC1)CCCC2.
What is the InChIKey of 3-[2-[4-[6-[4-(6-fluoro-1,2-benzoxazol-3-yl)piperidin-1-yl]-1,2-benzoxazol-3-yl]piperidin-1-yl]ethyl]-2-methyl-6,7,8,9-tetrahydropyrido[1,2-a]pyrimidin-4-one?
The InChIKey is NQZVHYABJBXBRI-UHFFFAOYSA-N. The full InChI is InChI=1S/C35H39FN6O3/c1-22-27(35(43)42-14-3-2-4-32(42)37-22)13-17-40-15-9-23(10-16-40)33-29-8-6-26(21-31(29)45-39-33)41-18-11-24(12-19-41)34-28-7-5-25(36)20-30(28)44-38-34/h5-8,20-21,23-24H,2-4,9-19H2,1H3.
What are the key properties of 3-[2-[4-[6-[4-(6-fluoro-1,2-benzoxazol-3-yl)piperidin-1-yl]-1,2-benzoxazol-3-yl]piperidin-1-yl]ethyl]-2-methyl-6,7,8,9-tetrahydropyrido[1,2-a]pyrimidin-4-one?
3-[2-[4-[6-[4-(6-fluoro-1,2-benzoxazol-3-yl)piperidin-1-yl]-1,2-benzoxazol-3-yl]piperidin-1-yl]ethyl]-2-methyl-6,7,8,9-tetrahydropyrido[1,2-a]pyrimidin-4-one has a molecular weight of 610.73 g/mol, XLogP of 6.12, 6 rotatable bonds, 0 hydrogen bond donors, and 9 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[2-[4-[6-[4-(6-fluoro-1,2-benzoxazol-3-yl)piperidin-1-yl]-1,2-benzoxazol-3-yl]piperidin-1-yl]ethyl]-2-methyl-6,7,8,9-tetrahydropyrido[1,2-a]pyrimidin-4-one is sourced from PubChem (CID 59017607), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).