N-[2-(dimethylamino)ethyl]-2-[2-[3-[[3-(2-methyl-3,4-dihydropyrazol-4-yl)-6-oxopyridazin-1-yl]methyl]phenyl]pyrimidin-5-yl]oxyacetamide

C25H30N8O3 — CID 91306943

IUPACN-[2-(dimethylamino)ethyl]-2-[2-[3-[[3-(2-methyl-3,4-dihydropyrazol-4-yl)-6-oxopyridazin-1-yl]methyl]phenyl]pyrimidin-5-yl]oxyacetamide
SMILESCN(C)CCNC(=O)COc1cnc(-c2cccc(Cn3nc(C4C=NN(C)C4)ccc3=O)c2)nc1
InChIInChI=1S/C25H30N8O3/c1-31(2)10-9-26-23(34)17-36-21-13-27-25(28-14-21)19-6-4-5-18(11-19)15-33-24(35)8-7-22(30-33)20-12-29-32(3)16-20/h4-8,11-14,20H,9-10,15-17H2,1-3H3,(H,26,34)
InChIKeyILWAEWIRCRRFEJ-UHFFFAOYSA-N
MW490.57 g/mol
LogP0.82
Rot. Bonds10

About N-[2-(dimethylamino)ethyl]-2-[2-[3-[[3-(2-methyl-3,4-dihydropyrazol-4-yl)-6-oxopyridazin-1-yl]methyl]phenyl]pyrimidin-5-yl]oxyacetamide

N-[2-(dimethylamino)ethyl]-2-[2-[3-[[3-(2-methyl-3,4-dihydropyrazol-4-yl)-6-oxopyridazin-1-yl]methyl]phenyl]pyrimidin-5-yl]oxyacetamide (PubChem CID 91306943) has the molecular formula C25H30N8O3 and a molecular weight of 490.57 g/mol. Its IUPAC name is N-[2-(dimethylamino)ethyl]-2-[2-[3-[[3-(2-methyl-3,4-dihydropyrazol-4-yl)-6-oxopyridazin-1-yl]methyl]phenyl]pyrimidin-5-yl]oxyacetamide.

Molecular Properties

Compound NameN-[2-(dimethylamino)ethyl]-2-[2-[3-[[3-(2-methyl-3,4-dihydropyrazol-4-yl)-6-oxopyridazin-1-yl]methyl]phenyl]pyrimidin-5-yl]oxyacetamide
PubChem CID91306943
Molecular FormulaC25H30N8O3
Molecular Weight490.57 g/mol
Exact Mass490.24
IUPAC NameN-[2-(dimethylamino)ethyl]-2-[2-[3-[[3-(2-methyl-3,4-dihydropyrazol-4-yl)-6-oxopyridazin-1-yl]methyl]phenyl]pyrimidin-5-yl]oxyacetamide
SMILESCN(C)CCNC(=O)COc1cnc(-c2cccc(Cn3nc(C4C=NN(C)C4)ccc3=O)c2)nc1
InChIInChI=1S/C25H30N8O3/c1-31(2)10-9-26-23(34)17-36-21-13-27-25(28-14-21)19-6-4-5-18(11-19)15-33-24(35)8-7-22(30-33)20-12-29-32(3)16-20/h4-8,11-14,20H,9-10,15-17H2,1-3H3,(H,26,34)
InChIKeyILWAEWIRCRRFEJ-UHFFFAOYSA-N
XLogP0.82
TPSA117.84 Ų
H-Bond Donors1
H-Bond Acceptors10
Rotatable Bonds10
Heavy Atoms36
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500490.57
LogP ≤ 50.82
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 1010

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Related Compounds

N-[2-(dimethylamino)ethyl]-2-[3-[[6-oxo-3-(3,4,5-trifluorophenyl)pyridazin-1-yl]methyl]phenyl]pyrimidine-5-carboxamide
CID 25173623
methyl 2-[2-[3-[[3-(1-methylpyrazol-4-yl)-6-oxopyridazin-1-yl]methyl]phenyl]pyrimidin-5-yl]oxyacetate
CID 58477536
3-[1-[[3-[5-[3-(dimethylamino)propoxy]pyrimidin-2-yl]phenyl]methyl]-6-oxopyridazin-3-yl]benzamide
CID 59484854
6-cyclopropyl-2-[[3-[5-(1-methylpiperidin-4-yl)oxypyrimidin-2-yl]phenyl]methyl]pyridazin-3-one
CID 42641498
N'-[2-[3-[(3-cyclopropyl-6-oxopyridazin-1-yl)methyl]phenyl]pyrimidin-5-yl]-N,N-dimethylmethanimidamide
CID 59549144
2-[[3-(5-ethoxypyrimidin-2-yl)phenyl]methyl]-6-(1-methylpyrazol-4-yl)pyridazin-3-one
CID 68508570
2-[[3-[5-(2-methoxyethoxy)pyrimidin-2-yl]phenyl]methyl]-6-(1-methylpyrazol-4-yl)pyridazin-3-one
CID 68507054
N-[2-(dimethylamino)ethyl]-2-[3-(1-ethyl-6-oxopyridazin-3-yl)phenyl]acetamide
CID 71248336
tert-butyl 4-[[2-[3-[[3-(3-carbamoylphenyl)-6-oxopyridazin-1-yl]methyl]phenyl]pyrimidin-5-yl]oxymethyl]piperidine-1-carboxylate
CID 58477522
6-(3,5-difluorophenyl)-2-[[3-[5-[(1-methylpiperidin-4-yl)methoxy]pyrimidin-2-yl]phenyl]methyl]pyridazin-3-one
CID 59484948
3-[1-[[3-[5-[(1-methylpiperidin-4-yl)methoxy]pyrimidin-2-yl]phenyl]methyl]-6-oxopyridazin-3-yl]benzonitrile
CID 25171648
(2S)-N-[2-[2-[3-[[3-(3-cyanophenyl)-6-oxopyridazin-1-yl]methyl]phenyl]pyrimidin-5-yl]oxyethyl]pyrrolidine-2-carboxamide
CID 46837079

Frequently Asked Questions

What is the IUPAC name of N-[2-(dimethylamino)ethyl]-2-[2-[3-[[3-(2-methyl-3,4-dihydropyrazol-4-yl)-6-oxopyridazin-1-yl]methyl]phenyl]pyrimidin-5-yl]oxyacetamide?
The IUPAC name of N-[2-(dimethylamino)ethyl]-2-[2-[3-[[3-(2-methyl-3,4-dihydropyrazol-4-yl)-6-oxopyridazin-1-yl]methyl]phenyl]pyrimidin-5-yl]oxyacetamide (CID 91306943) is N-[2-(dimethylamino)ethyl]-2-[2-[3-[[3-(2-methyl-3,4-dihydropyrazol-4-yl)-6-oxopyridazin-1-yl]methyl]phenyl]pyrimidin-5-yl]oxyacetamide.
What is the SMILES notation for N-[2-(dimethylamino)ethyl]-2-[2-[3-[[3-(2-methyl-3,4-dihydropyrazol-4-yl)-6-oxopyridazin-1-yl]methyl]phenyl]pyrimidin-5-yl]oxyacetamide?
The canonical SMILES for N-[2-(dimethylamino)ethyl]-2-[2-[3-[[3-(2-methyl-3,4-dihydropyrazol-4-yl)-6-oxopyridazin-1-yl]methyl]phenyl]pyrimidin-5-yl]oxyacetamide is CN(C)CCNC(=O)COc1cnc(-c2cccc(Cn3nc(C4C=NN(C)C4)ccc3=O)c2)nc1.
What is the InChIKey of N-[2-(dimethylamino)ethyl]-2-[2-[3-[[3-(2-methyl-3,4-dihydropyrazol-4-yl)-6-oxopyridazin-1-yl]methyl]phenyl]pyrimidin-5-yl]oxyacetamide?
The InChIKey is ILWAEWIRCRRFEJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H30N8O3/c1-31(2)10-9-26-23(34)17-36-21-13-27-25(28-14-21)19-6-4-5-18(11-19)15-33-24(35)8-7-22(30-33)20-12-29-32(3)16-20/h4-8,11-14,20H,9-10,15-17H2,1-3H3,(H,26,34).
What are the key properties of N-[2-(dimethylamino)ethyl]-2-[2-[3-[[3-(2-methyl-3,4-dihydropyrazol-4-yl)-6-oxopyridazin-1-yl]methyl]phenyl]pyrimidin-5-yl]oxyacetamide?
N-[2-(dimethylamino)ethyl]-2-[2-[3-[[3-(2-methyl-3,4-dihydropyrazol-4-yl)-6-oxopyridazin-1-yl]methyl]phenyl]pyrimidin-5-yl]oxyacetamide has a molecular weight of 490.57 g/mol, XLogP of 0.82, 10 rotatable bonds, 1 hydrogen bond donors, and 10 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-(dimethylamino)ethyl]-2-[2-[3-[[3-(2-methyl-3,4-dihydropyrazol-4-yl)-6-oxopyridazin-1-yl]methyl]phenyl]pyrimidin-5-yl]oxyacetamide is sourced from PubChem (CID 91306943), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).