7-[4-(dimethylamino)piperidin-1-yl]-2-(6-ethyl-5,7-dimethyl-1-benzofuran-2-yl)pyrido[1,2-a]pyrimidin-4-one

C27H32N4O2 — CID 123711665

IUPAC7-[4-(dimethylamino)piperidin-1-yl]-2-(6-ethyl-5,7-dimethyl-1-benzofuran-2-yl)pyrido[1,2-a]pyrimidin-4-one
SMILESCCc1c(C)cc2cc(-c3cc(=O)n4cc(N5CCC(N(C)C)CC5)ccc4n3)oc2c1C
InChIInChI=1S/C27H32N4O2/c1-6-22-17(2)13-19-14-24(33-27(19)18(22)3)23-15-26(32)31-16-21(7-8-25(31)28-23)30-11-9-20(10-12-30)29(4)5/h7-8,13-16,20H,6,9-12H2,1-5H3
InChIKeyFHCBIRFCQKYUDZ-UHFFFAOYSA-N
MW444.58 g/mol
LogP4.82
Rot. Bonds4

About 7-[4-(dimethylamino)piperidin-1-yl]-2-(6-ethyl-5,7-dimethyl-1-benzofuran-2-yl)pyrido[1,2-a]pyrimidin-4-one

7-[4-(dimethylamino)piperidin-1-yl]-2-(6-ethyl-5,7-dimethyl-1-benzofuran-2-yl)pyrido[1,2-a]pyrimidin-4-one (PubChem CID 123711665) has the molecular formula C27H32N4O2 and a molecular weight of 444.58 g/mol. Its IUPAC name is 7-[4-(dimethylamino)piperidin-1-yl]-2-(6-ethyl-5,7-dimethyl-1-benzofuran-2-yl)pyrido[1,2-a]pyrimidin-4-one.

Molecular Properties

Compound Name7-[4-(dimethylamino)piperidin-1-yl]-2-(6-ethyl-5,7-dimethyl-1-benzofuran-2-yl)pyrido[1,2-a]pyrimidin-4-one
PubChem CID123711665
Molecular FormulaC27H32N4O2
Molecular Weight444.58 g/mol
Exact Mass444.25
IUPAC Name7-[4-(dimethylamino)piperidin-1-yl]-2-(6-ethyl-5,7-dimethyl-1-benzofuran-2-yl)pyrido[1,2-a]pyrimidin-4-one
SMILESCCc1c(C)cc2cc(-c3cc(=O)n4cc(N5CCC(N(C)C)CC5)ccc4n3)oc2c1C
InChIInChI=1S/C27H32N4O2/c1-6-22-17(2)13-19-14-24(33-27(19)18(22)3)23-15-26(32)31-16-21(7-8-25(31)28-23)30-11-9-20(10-12-30)29(4)5/h7-8,13-16,20H,6,9-12H2,1-5H3
InChIKeyFHCBIRFCQKYUDZ-UHFFFAOYSA-N
XLogP4.82
TPSA53.99 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms33
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500444.58
LogP ≤ 54.82
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of 7-[4-(dimethylamino)piperidin-1-yl]-2-(6-ethyl-5,7-dimethyl-1-benzofuran-2-yl)pyrido[1,2-a]pyrimidin-4-one?
The IUPAC name of 7-[4-(dimethylamino)piperidin-1-yl]-2-(6-ethyl-5,7-dimethyl-1-benzofuran-2-yl)pyrido[1,2-a]pyrimidin-4-one (CID 123711665) is 7-[4-(dimethylamino)piperidin-1-yl]-2-(6-ethyl-5,7-dimethyl-1-benzofuran-2-yl)pyrido[1,2-a]pyrimidin-4-one.
What is the SMILES notation for 7-[4-(dimethylamino)piperidin-1-yl]-2-(6-ethyl-5,7-dimethyl-1-benzofuran-2-yl)pyrido[1,2-a]pyrimidin-4-one?
The canonical SMILES for 7-[4-(dimethylamino)piperidin-1-yl]-2-(6-ethyl-5,7-dimethyl-1-benzofuran-2-yl)pyrido[1,2-a]pyrimidin-4-one is CCc1c(C)cc2cc(-c3cc(=O)n4cc(N5CCC(N(C)C)CC5)ccc4n3)oc2c1C.
What is the InChIKey of 7-[4-(dimethylamino)piperidin-1-yl]-2-(6-ethyl-5,7-dimethyl-1-benzofuran-2-yl)pyrido[1,2-a]pyrimidin-4-one?
The InChIKey is FHCBIRFCQKYUDZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C27H32N4O2/c1-6-22-17(2)13-19-14-24(33-27(19)18(22)3)23-15-26(32)31-16-21(7-8-25(31)28-23)30-11-9-20(10-12-30)29(4)5/h7-8,13-16,20H,6,9-12H2,1-5H3.
What are the key properties of 7-[4-(dimethylamino)piperidin-1-yl]-2-(6-ethyl-5,7-dimethyl-1-benzofuran-2-yl)pyrido[1,2-a]pyrimidin-4-one?
7-[4-(dimethylamino)piperidin-1-yl]-2-(6-ethyl-5,7-dimethyl-1-benzofuran-2-yl)pyrido[1,2-a]pyrimidin-4-one has a molecular weight of 444.58 g/mol, XLogP of 4.82, 4 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 7-[4-(dimethylamino)piperidin-1-yl]-2-(6-ethyl-5,7-dimethyl-1-benzofuran-2-yl)pyrido[1,2-a]pyrimidin-4-one is sourced from PubChem (CID 123711665), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).