5-[3-[[[2-(dimethylamino)-5,6,7,8-tetrahydropyrido[3,4-d]pyrimidin-4-yl]amino]methyl]pyrrolidin-1-yl]-2-methylpyridazin-3-one

C19H28N8O — CID 56744472

IUPAC5-[3-[[[2-(dimethylamino)-5,6,7,8-tetrahydropyrido[3,4-d]pyrimidin-4-yl]amino]methyl]pyrrolidin-1-yl]-2-methylpyridazin-3-one
SMILESCN(C)c1nc2c(c(NCC3CCN(c4cnn(C)c(=O)c4)C3)n1)CCNC2
InChIInChI=1S/C19H28N8O/c1-25(2)19-23-16-11-20-6-4-15(16)18(24-19)21-9-13-5-7-27(12-13)14-8-17(28)26(3)22-10-14/h8,10,13,20H,4-7,9,11-12H2,1-3H3,(H,21,23,24)
InChIKeyZNOGAAANBUYTFH-UHFFFAOYSA-N
MW384.49 g/mol
LogP0.22
Rot. Bonds5

About 5-[3-[[[2-(dimethylamino)-5,6,7,8-tetrahydropyrido[3,4-d]pyrimidin-4-yl]amino]methyl]pyrrolidin-1-yl]-2-methylpyridazin-3-one

5-[3-[[[2-(dimethylamino)-5,6,7,8-tetrahydropyrido[3,4-d]pyrimidin-4-yl]amino]methyl]pyrrolidin-1-yl]-2-methylpyridazin-3-one (PubChem CID 56744472) has the molecular formula C19H28N8O and a molecular weight of 384.49 g/mol. Its IUPAC name is 5-[3-[[[2-(dimethylamino)-5,6,7,8-tetrahydropyrido[3,4-d]pyrimidin-4-yl]amino]methyl]pyrrolidin-1-yl]-2-methylpyridazin-3-one.

Molecular Properties

Compound Name5-[3-[[[2-(dimethylamino)-5,6,7,8-tetrahydropyrido[3,4-d]pyrimidin-4-yl]amino]methyl]pyrrolidin-1-yl]-2-methylpyridazin-3-one
PubChem CID56744472
Molecular FormulaC19H28N8O
Molecular Weight384.49 g/mol
Exact Mass384.24
IUPAC Name5-[3-[[[2-(dimethylamino)-5,6,7,8-tetrahydropyrido[3,4-d]pyrimidin-4-yl]amino]methyl]pyrrolidin-1-yl]-2-methylpyridazin-3-one
SMILESCN(C)c1nc2c(c(NCC3CCN(c4cnn(C)c(=O)c4)C3)n1)CCNC2
InChIInChI=1S/C19H28N8O/c1-25(2)19-23-16-11-20-6-4-15(16)18(24-19)21-9-13-5-7-27(12-13)14-8-17(28)26(3)22-10-14/h8,10,13,20H,4-7,9,11-12H2,1-3H3,(H,21,23,24)
InChIKeyZNOGAAANBUYTFH-UHFFFAOYSA-N
XLogP0.22
TPSA91.21 Ų
H-Bond Donors2
H-Bond Acceptors9
Rotatable Bonds5
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500384.49
LogP ≤ 50.22
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 109

Analyze 5-[3-[[[2-(dimethylamino)-5,6,7,8-tetrahydropyrido[3,4-d]pyrimidin-4-yl]amino]methyl]pyrrolidin-1-yl]-2-methylpyridazin-3-one with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

2-N,2-N,4-N-trimethyl-4-N-[[(3S)-1-phenylpyrrolidin-3-yl]methyl]-5,6,7,8-tetrahydropyrido[3,4-d]pyrimidine-2,4-diamine
CID 95201074
4-[3-[[[ethyl(methyl)sulfamoyl]amino]methyl]pyrrolidin-1-yl]-1-methyl-6-oxopyridazine
CID 70768852
2-methyl-5-[(2R)-2-[2-(5,6,7,8-tetrahydropyrido[3,4-d]pyrimidin-4-ylamino)ethyl]morpholin-4-yl]pyridazin-3-one
CID 95216782
N-[[1-(1-methyl-6-oxopyridazin-4-yl)pyrrolidin-3-yl]methyl]-2-[methyl(propan-2-yl)amino]acetamide
CID 70730789
1,1,1-trifluoro-N-[[1-(1-methyl-6-oxopyridazin-4-yl)pyrrolidin-3-yl]methyl]methanesulfonamide
CID 45191688
2-methyl-N-[[1-(1-methyl-6-oxopyridazin-4-yl)pyrrolidin-3-yl]methyl]-2-pyrrolidin-1-ylpropanamide
CID 70728096
2-methyl-5-[3-[[(1-phenylpiperidin-4-yl)amino]methyl]pyrrolidin-1-yl]pyridazin-3-one
CID 45252002
N-[[1-(1-methyl-6-oxopyridazin-4-yl)pyrrolidin-3-yl]methyl]-2-oxopentanamide
CID 56881772
N-[[1-(1-methyl-6-oxopyridazin-4-yl)pyrrolidin-3-yl]methyl]-3-(1,2,4-triazol-4-yl)benzamide
CID 70735953
N-[[1-(1-methyl-6-oxopyridazin-4-yl)pyrrolidin-3-yl]methyl]-4-propylbenzamide
CID 70745919
2-methyl-N-[[1-(1-methyl-6-oxopyridazin-4-yl)pyrrolidin-3-yl]methyl]-6-oxo-1H-pyrimidine-5-carboxamide
CID 70727053
2-(4,6-dimethyl-2-oxopyrimidin-1-yl)-N-[[1-(1-methyl-6-oxopyridazin-4-yl)pyrrolidin-3-yl]methyl]acetamide
CID 70739773

Frequently Asked Questions

What is the IUPAC name of 5-[3-[[[2-(dimethylamino)-5,6,7,8-tetrahydropyrido[3,4-d]pyrimidin-4-yl]amino]methyl]pyrrolidin-1-yl]-2-methylpyridazin-3-one?
The IUPAC name of 5-[3-[[[2-(dimethylamino)-5,6,7,8-tetrahydropyrido[3,4-d]pyrimidin-4-yl]amino]methyl]pyrrolidin-1-yl]-2-methylpyridazin-3-one (CID 56744472) is 5-[3-[[[2-(dimethylamino)-5,6,7,8-tetrahydropyrido[3,4-d]pyrimidin-4-yl]amino]methyl]pyrrolidin-1-yl]-2-methylpyridazin-3-one.
What is the SMILES notation for 5-[3-[[[2-(dimethylamino)-5,6,7,8-tetrahydropyrido[3,4-d]pyrimidin-4-yl]amino]methyl]pyrrolidin-1-yl]-2-methylpyridazin-3-one?
The canonical SMILES for 5-[3-[[[2-(dimethylamino)-5,6,7,8-tetrahydropyrido[3,4-d]pyrimidin-4-yl]amino]methyl]pyrrolidin-1-yl]-2-methylpyridazin-3-one is CN(C)c1nc2c(c(NCC3CCN(c4cnn(C)c(=O)c4)C3)n1)CCNC2.
What is the InChIKey of 5-[3-[[[2-(dimethylamino)-5,6,7,8-tetrahydropyrido[3,4-d]pyrimidin-4-yl]amino]methyl]pyrrolidin-1-yl]-2-methylpyridazin-3-one?
The InChIKey is ZNOGAAANBUYTFH-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H28N8O/c1-25(2)19-23-16-11-20-6-4-15(16)18(24-19)21-9-13-5-7-27(12-13)14-8-17(28)26(3)22-10-14/h8,10,13,20H,4-7,9,11-12H2,1-3H3,(H,21,23,24).
What are the key properties of 5-[3-[[[2-(dimethylamino)-5,6,7,8-tetrahydropyrido[3,4-d]pyrimidin-4-yl]amino]methyl]pyrrolidin-1-yl]-2-methylpyridazin-3-one?
5-[3-[[[2-(dimethylamino)-5,6,7,8-tetrahydropyrido[3,4-d]pyrimidin-4-yl]amino]methyl]pyrrolidin-1-yl]-2-methylpyridazin-3-one has a molecular weight of 384.49 g/mol, XLogP of 0.22, 5 rotatable bonds, 2 hydrogen bond donors, and 9 hydrogen bond acceptors.
Where does this data come from?
All data for 5-[3-[[[2-(dimethylamino)-5,6,7,8-tetrahydropyrido[3,4-d]pyrimidin-4-yl]amino]methyl]pyrrolidin-1-yl]-2-methylpyridazin-3-one is sourced from PubChem (CID 56744472), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).