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

C21H20N8O — CID 126920179

IUPAC3-methyl-2-[[1-(6-pyridin-4-ylpyridazin-3-yl)azetidin-3-yl]methylamino]pyrido[2,3-d]pyrimidin-4-one
SMILESCn1c(NCC2CN(c3ccc(-c4ccncc4)nn3)C2)nc2ncccc2c1=O
InChIInChI=1S/C21H20N8O/c1-28-20(30)16-3-2-8-23-19(16)25-21(28)24-11-14-12-29(13-14)18-5-4-17(26-27-18)15-6-9-22-10-7-15/h2-10,14H,11-13H2,1H3,(H,23,24,25)
InChIKeyMKNJCYOQLKDLIF-UHFFFAOYSA-N
MW400.45 g/mol
LogP1.73
Rot. Bonds5

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

3-methyl-2-[[1-(6-pyridin-4-ylpyridazin-3-yl)azetidin-3-yl]methylamino]pyrido[2,3-d]pyrimidin-4-one (PubChem CID 126920179) has the molecular formula C21H20N8O and a molecular weight of 400.45 g/mol. Its IUPAC name is 3-methyl-2-[[1-(6-pyridin-4-ylpyridazin-3-yl)azetidin-3-yl]methylamino]pyrido[2,3-d]pyrimidin-4-one.

Molecular Properties

Compound Name3-methyl-2-[[1-(6-pyridin-4-ylpyridazin-3-yl)azetidin-3-yl]methylamino]pyrido[2,3-d]pyrimidin-4-one
PubChem CID126920179
Molecular FormulaC21H20N8O
Molecular Weight400.45 g/mol
Exact Mass400.18
IUPAC Name3-methyl-2-[[1-(6-pyridin-4-ylpyridazin-3-yl)azetidin-3-yl]methylamino]pyrido[2,3-d]pyrimidin-4-one
SMILESCn1c(NCC2CN(c3ccc(-c4ccncc4)nn3)C2)nc2ncccc2c1=O
InChIInChI=1S/C21H20N8O/c1-28-20(30)16-3-2-8-23-19(16)25-21(28)24-11-14-12-29(13-14)18-5-4-17(26-27-18)15-6-9-22-10-7-15/h2-10,14H,11-13H2,1H3,(H,23,24,25)
InChIKeyMKNJCYOQLKDLIF-UHFFFAOYSA-N
XLogP1.73
TPSA101.72 Ų
H-Bond Donors1
H-Bond Acceptors9
Rotatable Bonds5
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500400.45
LogP ≤ 51.73
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 109

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Related Compounds

2,5-dimethyl-6-[[1-(6-pyridin-4-ylpyridazin-3-yl)azetidin-3-yl]methylamino]pyrazolo[3,4-d]pyrimidin-4-one
CID 126920175
N-[[1-(6-pyridin-4-ylpyridazin-3-yl)azetidin-3-yl]methyl]pyrimidin-2-amine
CID 126920018
2-[[1-(6-pyridin-4-ylpyridazin-3-yl)azetidin-3-yl]methylamino]pyrido[1,2-a]pyrimidin-4-one
CID 126920091
6-methyl-N-[[1-(6-pyridin-4-ylpyridazin-3-yl)azetidin-3-yl]methyl]pyridazin-3-amine
CID 126920030
5,6-dimethyl-N-[[1-(6-pyridin-4-ylpyridazin-3-yl)azetidin-3-yl]methyl]pyrrolo[3,2-d]pyrimidin-4-amine
CID 126920177
6-pyrazol-1-yl-N-[[1-(6-pyridin-4-ylpyridazin-3-yl)azetidin-3-yl]methyl]pyrazin-2-amine
CID 126920140
1-cyclopropyl-N-[[1-(6-pyridin-4-ylpyridazin-3-yl)azetidin-3-yl]methyl]ethanamine
CID 126920097
3-methyl-2-[[1-(6-oxo-1H-pyridazin-3-yl)piperidin-2-yl]methylamino]pyrido[2,3-d]pyrimidin-4-one
CID 126930570
3-methyl-2-[[1-(3-methyl-[1,2,4]triazolo[4,3-b]pyridazin-6-yl)azetidin-3-yl]methylamino]pyrido[3,4-d]pyrimidin-4-one
CID 126921073
1-methyl-N-[[1-(6-pyridin-4-ylpyridazin-3-yl)azetidin-3-yl]methyl]piperidine-3-carboxamide
CID 126919959
2-[[1-(3-tert-butyl-[1,2,4]triazolo[4,3-b]pyridazin-6-yl)azetidin-3-yl]methylamino]-3-methylpyrido[3,4-d]pyrimidin-4-one
CID 126922637
2,5-dimethyl-6-[[1-(3-methyl-[1,2,4]triazolo[4,3-b]pyridazin-6-yl)azetidin-3-yl]methylamino]pyrazolo[3,4-d]pyrimidin-4-one
CID 126921063

Frequently Asked Questions

What is the IUPAC name of 3-methyl-2-[[1-(6-pyridin-4-ylpyridazin-3-yl)azetidin-3-yl]methylamino]pyrido[2,3-d]pyrimidin-4-one?
The IUPAC name of 3-methyl-2-[[1-(6-pyridin-4-ylpyridazin-3-yl)azetidin-3-yl]methylamino]pyrido[2,3-d]pyrimidin-4-one (CID 126920179) is 3-methyl-2-[[1-(6-pyridin-4-ylpyridazin-3-yl)azetidin-3-yl]methylamino]pyrido[2,3-d]pyrimidin-4-one.
What is the SMILES notation for 3-methyl-2-[[1-(6-pyridin-4-ylpyridazin-3-yl)azetidin-3-yl]methylamino]pyrido[2,3-d]pyrimidin-4-one?
The canonical SMILES for 3-methyl-2-[[1-(6-pyridin-4-ylpyridazin-3-yl)azetidin-3-yl]methylamino]pyrido[2,3-d]pyrimidin-4-one is Cn1c(NCC2CN(c3ccc(-c4ccncc4)nn3)C2)nc2ncccc2c1=O.
What is the InChIKey of 3-methyl-2-[[1-(6-pyridin-4-ylpyridazin-3-yl)azetidin-3-yl]methylamino]pyrido[2,3-d]pyrimidin-4-one?
The InChIKey is MKNJCYOQLKDLIF-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H20N8O/c1-28-20(30)16-3-2-8-23-19(16)25-21(28)24-11-14-12-29(13-14)18-5-4-17(26-27-18)15-6-9-22-10-7-15/h2-10,14H,11-13H2,1H3,(H,23,24,25).
What are the key properties of 3-methyl-2-[[1-(6-pyridin-4-ylpyridazin-3-yl)azetidin-3-yl]methylamino]pyrido[2,3-d]pyrimidin-4-one?
3-methyl-2-[[1-(6-pyridin-4-ylpyridazin-3-yl)azetidin-3-yl]methylamino]pyrido[2,3-d]pyrimidin-4-one has a molecular weight of 400.45 g/mol, XLogP of 1.73, 5 rotatable bonds, 1 hydrogen bond donors, and 9 hydrogen bond acceptors.
Where does this data come from?
All data for 3-methyl-2-[[1-(6-pyridin-4-ylpyridazin-3-yl)azetidin-3-yl]methylamino]pyrido[2,3-d]pyrimidin-4-one is sourced from PubChem (CID 126920179), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).