2-[[1-(6-pyridin-4-ylpyridazin-3-yl)azetidin-3-yl]methylamino]pyrido[1,2-a]pyrimidin-4-one

C21H19N7O — CID 126920091

IUPAC2-[[1-(6-pyridin-4-ylpyridazin-3-yl)azetidin-3-yl]methylamino]pyrido[1,2-a]pyrimidin-4-one
SMILESO=c1cc(NCC2CN(c3ccc(-c4ccncc4)nn3)C2)nc2ccccn12
InChIInChI=1S/C21H19N7O/c29-21-11-18(24-19-3-1-2-10-28(19)21)23-12-15-13-27(14-15)20-5-4-17(25-26-20)16-6-8-22-9-7-16/h1-11,15,23H,12-14H2
InChIKeyXNNMKHFXXSVINN-UHFFFAOYSA-N
MW385.43 g/mol
LogP2.09
Rot. Bonds5

About 2-[[1-(6-pyridin-4-ylpyridazin-3-yl)azetidin-3-yl]methylamino]pyrido[1,2-a]pyrimidin-4-one

2-[[1-(6-pyridin-4-ylpyridazin-3-yl)azetidin-3-yl]methylamino]pyrido[1,2-a]pyrimidin-4-one (PubChem CID 126920091) has the molecular formula C21H19N7O and a molecular weight of 385.43 g/mol. Its IUPAC name is 2-[[1-(6-pyridin-4-ylpyridazin-3-yl)azetidin-3-yl]methylamino]pyrido[1,2-a]pyrimidin-4-one.

Molecular Properties

Compound Name2-[[1-(6-pyridin-4-ylpyridazin-3-yl)azetidin-3-yl]methylamino]pyrido[1,2-a]pyrimidin-4-one
PubChem CID126920091
Molecular FormulaC21H19N7O
Molecular Weight385.43 g/mol
Exact Mass385.17
IUPAC Name2-[[1-(6-pyridin-4-ylpyridazin-3-yl)azetidin-3-yl]methylamino]pyrido[1,2-a]pyrimidin-4-one
SMILESO=c1cc(NCC2CN(c3ccc(-c4ccncc4)nn3)C2)nc2ccccn12
InChIInChI=1S/C21H19N7O/c29-21-11-18(24-19-3-1-2-10-28(19)21)23-12-15-13-27(14-15)20-5-4-17(25-26-20)16-6-8-22-9-7-16/h1-11,15,23H,12-14H2
InChIKeyXNNMKHFXXSVINN-UHFFFAOYSA-N
XLogP2.09
TPSA88.31 Ų
H-Bond Donors1
H-Bond Acceptors8
Rotatable Bonds5
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500385.43
LogP ≤ 52.09
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 108

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Frequently Asked Questions

What is the IUPAC name of 2-[[1-(6-pyridin-4-ylpyridazin-3-yl)azetidin-3-yl]methylamino]pyrido[1,2-a]pyrimidin-4-one?
The IUPAC name of 2-[[1-(6-pyridin-4-ylpyridazin-3-yl)azetidin-3-yl]methylamino]pyrido[1,2-a]pyrimidin-4-one (CID 126920091) is 2-[[1-(6-pyridin-4-ylpyridazin-3-yl)azetidin-3-yl]methylamino]pyrido[1,2-a]pyrimidin-4-one.
What is the SMILES notation for 2-[[1-(6-pyridin-4-ylpyridazin-3-yl)azetidin-3-yl]methylamino]pyrido[1,2-a]pyrimidin-4-one?
The canonical SMILES for 2-[[1-(6-pyridin-4-ylpyridazin-3-yl)azetidin-3-yl]methylamino]pyrido[1,2-a]pyrimidin-4-one is O=c1cc(NCC2CN(c3ccc(-c4ccncc4)nn3)C2)nc2ccccn12.
What is the InChIKey of 2-[[1-(6-pyridin-4-ylpyridazin-3-yl)azetidin-3-yl]methylamino]pyrido[1,2-a]pyrimidin-4-one?
The InChIKey is XNNMKHFXXSVINN-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H19N7O/c29-21-11-18(24-19-3-1-2-10-28(19)21)23-12-15-13-27(14-15)20-5-4-17(25-26-20)16-6-8-22-9-7-16/h1-11,15,23H,12-14H2.
What are the key properties of 2-[[1-(6-pyridin-4-ylpyridazin-3-yl)azetidin-3-yl]methylamino]pyrido[1,2-a]pyrimidin-4-one?
2-[[1-(6-pyridin-4-ylpyridazin-3-yl)azetidin-3-yl]methylamino]pyrido[1,2-a]pyrimidin-4-one has a molecular weight of 385.43 g/mol, XLogP of 2.09, 5 rotatable bonds, 1 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[[1-(6-pyridin-4-ylpyridazin-3-yl)azetidin-3-yl]methylamino]pyrido[1,2-a]pyrimidin-4-one is sourced from PubChem (CID 126920091), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).