3-methyl-2-[[1-[2-(6-oxopyridazin-1-yl)ethyl]piperidin-2-yl]methylamino]pyrido[2,3-d]pyrimidin-4-one

C20H25N7O2 — CID 126937584

IUPAC3-methyl-2-[[1-[2-(6-oxopyridazin-1-yl)ethyl]piperidin-2-yl]methylamino]pyrido[2,3-d]pyrimidin-4-one
SMILESCn1c(NCC2CCCCN2CCn2ncccc2=O)nc2ncccc2c1=O
InChIInChI=1S/C20H25N7O2/c1-25-19(29)16-7-4-9-21-18(16)24-20(25)22-14-15-6-2-3-11-26(15)12-13-27-17(28)8-5-10-23-27/h4-5,7-10,15H,2-3,6,11-14H2,1H3,(H,21,22,24)
InChIKeyGQVFDNHYIUKQJR-UHFFFAOYSA-N
MW395.47 g/mol
LogP0.85
Rot. Bonds6

About 3-methyl-2-[[1-[2-(6-oxopyridazin-1-yl)ethyl]piperidin-2-yl]methylamino]pyrido[2,3-d]pyrimidin-4-one

3-methyl-2-[[1-[2-(6-oxopyridazin-1-yl)ethyl]piperidin-2-yl]methylamino]pyrido[2,3-d]pyrimidin-4-one (PubChem CID 126937584) has the molecular formula C20H25N7O2 and a molecular weight of 395.47 g/mol. Its IUPAC name is 3-methyl-2-[[1-[2-(6-oxopyridazin-1-yl)ethyl]piperidin-2-yl]methylamino]pyrido[2,3-d]pyrimidin-4-one.

Molecular Properties

Compound Name3-methyl-2-[[1-[2-(6-oxopyridazin-1-yl)ethyl]piperidin-2-yl]methylamino]pyrido[2,3-d]pyrimidin-4-one
PubChem CID126937584
Molecular FormulaC20H25N7O2
Molecular Weight395.47 g/mol
Exact Mass395.21
IUPAC Name3-methyl-2-[[1-[2-(6-oxopyridazin-1-yl)ethyl]piperidin-2-yl]methylamino]pyrido[2,3-d]pyrimidin-4-one
SMILESCn1c(NCC2CCCCN2CCn2ncccc2=O)nc2ncccc2c1=O
InChIInChI=1S/C20H25N7O2/c1-25-19(29)16-7-4-9-21-18(16)24-20(25)22-14-15-6-2-3-11-26(15)12-13-27-17(28)8-5-10-23-27/h4-5,7-10,15H,2-3,6,11-14H2,1H3,(H,21,22,24)
InChIKeyGQVFDNHYIUKQJR-UHFFFAOYSA-N
XLogP0.85
TPSA97.94 Ų
H-Bond Donors1
H-Bond Acceptors9
Rotatable Bonds6
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500395.47
LogP ≤ 50.85
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 109

Analyze 3-methyl-2-[[1-[2-(6-oxopyridazin-1-yl)ethyl]piperidin-2-yl]methylamino]pyrido[2,3-d]pyrimidin-4-one with MolForge

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Related Compounds

3-methyl-6-[[1-[2-(6-oxopyridazin-1-yl)ethyl]piperidin-2-yl]methylamino]pyrimidin-4-one
CID 126937568
3-methyl-2-[[1-(6-oxo-1H-pyridazin-3-yl)piperidin-2-yl]methylamino]pyrido[2,3-d]pyrimidin-4-one
CID 126930570
2-[2-[2-[[(6-tert-butylpyridazin-3-yl)amino]methyl]piperidin-1-yl]ethyl]pyridazin-3-one
CID 126937509
2-[2-[2-[(imidazo[1,2-b]pyridazin-6-ylamino)methyl]piperidin-1-yl]ethyl]pyridazin-3-one
CID 126937517
5-methyl-N-[[1-[2-(6-oxopyridazin-1-yl)ethyl]piperidin-2-yl]methyl]-1,2-oxazole-3-carboxamide
CID 126937418
2-[2-[2-[[(2-methylpyrido[2,3-d]pyrimidin-4-yl)amino]methyl]piperidin-1-yl]ethyl]-7,8-dihydro-5H-pyrano[4,3-c]pyridazin-3-one
CID 126938481
5-methyl-N-[[1-[2-(6-oxopyridazin-1-yl)ethyl]piperidin-2-yl]methyl]-1H-pyrazole-3-carboxamide
CID 126937456
2-[[1-(2-pyrrolidin-1-ylethyl)pyrrolidin-2-yl]methyl]pyridazin-3-one
CID 126923176
2-[[1-[2-(3-tert-butyl-6-oxopyridazin-1-yl)ethyl]piperidin-2-yl]methylamino]pyridine-3-carbonitrile
CID 126937867
6-tert-butyl-2-[2-[2-[[(2-methylpyrimidin-4-yl)amino]methyl]piperidin-1-yl]ethyl]pyridazin-3-one
CID 126937892
6-methyl-2-[2-[2-[[(5-methylpyrimidin-2-yl)amino]methyl]piperidin-1-yl]ethyl]pyridazin-3-one
CID 126937746
2-[2-[2-[[(4-methyl-3-oxopyrazin-2-yl)amino]methyl]piperidin-1-yl]ethyl]-6,7-dihydro-5H-cyclopenta[c]pyridazin-3-one
CID 126938063

Frequently Asked Questions

What is the IUPAC name of 3-methyl-2-[[1-[2-(6-oxopyridazin-1-yl)ethyl]piperidin-2-yl]methylamino]pyrido[2,3-d]pyrimidin-4-one?
The IUPAC name of 3-methyl-2-[[1-[2-(6-oxopyridazin-1-yl)ethyl]piperidin-2-yl]methylamino]pyrido[2,3-d]pyrimidin-4-one (CID 126937584) is 3-methyl-2-[[1-[2-(6-oxopyridazin-1-yl)ethyl]piperidin-2-yl]methylamino]pyrido[2,3-d]pyrimidin-4-one.
What is the SMILES notation for 3-methyl-2-[[1-[2-(6-oxopyridazin-1-yl)ethyl]piperidin-2-yl]methylamino]pyrido[2,3-d]pyrimidin-4-one?
The canonical SMILES for 3-methyl-2-[[1-[2-(6-oxopyridazin-1-yl)ethyl]piperidin-2-yl]methylamino]pyrido[2,3-d]pyrimidin-4-one is Cn1c(NCC2CCCCN2CCn2ncccc2=O)nc2ncccc2c1=O.
What is the InChIKey of 3-methyl-2-[[1-[2-(6-oxopyridazin-1-yl)ethyl]piperidin-2-yl]methylamino]pyrido[2,3-d]pyrimidin-4-one?
The InChIKey is GQVFDNHYIUKQJR-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H25N7O2/c1-25-19(29)16-7-4-9-21-18(16)24-20(25)22-14-15-6-2-3-11-26(15)12-13-27-17(28)8-5-10-23-27/h4-5,7-10,15H,2-3,6,11-14H2,1H3,(H,21,22,24).
What are the key properties of 3-methyl-2-[[1-[2-(6-oxopyridazin-1-yl)ethyl]piperidin-2-yl]methylamino]pyrido[2,3-d]pyrimidin-4-one?
3-methyl-2-[[1-[2-(6-oxopyridazin-1-yl)ethyl]piperidin-2-yl]methylamino]pyrido[2,3-d]pyrimidin-4-one has a molecular weight of 395.47 g/mol, XLogP of 0.85, 6 rotatable bonds, 1 hydrogen bond donors, and 9 hydrogen bond acceptors.
Where does this data come from?
All data for 3-methyl-2-[[1-[2-(6-oxopyridazin-1-yl)ethyl]piperidin-2-yl]methylamino]pyrido[2,3-d]pyrimidin-4-one is sourced from PubChem (CID 126937584), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).