2-methyl-6-[2-[[(6-methyl-5H-pyrrolo[3,2-d]pyrimidin-4-yl)amino]methyl]piperidin-1-yl]pyridazin-3-one

C18H23N7O — CID 126930873

IUPAC2-methyl-6-[2-[[(6-methyl-5H-pyrrolo[3,2-d]pyrimidin-4-yl)amino]methyl]piperidin-1-yl]pyridazin-3-one
SMILESCc1cc2ncnc(NCC3CCCCN3c3ccc(=O)n(C)n3)c2[nH]1
InChIInChI=1S/C18H23N7O/c1-12-9-14-17(22-12)18(21-11-20-14)19-10-13-5-3-4-8-25(13)15-6-7-16(26)24(2)23-15/h6-7,9,11,13,22H,3-5,8,10H2,1-2H3,(H,19,20,21)
InChIKeyFXAUIAQFUGHAEO-UHFFFAOYSA-N
MW353.43 g/mol
LogP1.83
Rot. Bonds4

About 2-methyl-6-[2-[[(6-methyl-5H-pyrrolo[3,2-d]pyrimidin-4-yl)amino]methyl]piperidin-1-yl]pyridazin-3-one

2-methyl-6-[2-[[(6-methyl-5H-pyrrolo[3,2-d]pyrimidin-4-yl)amino]methyl]piperidin-1-yl]pyridazin-3-one (PubChem CID 126930873) has the molecular formula C18H23N7O and a molecular weight of 353.43 g/mol. Its IUPAC name is 2-methyl-6-[2-[[(6-methyl-5H-pyrrolo[3,2-d]pyrimidin-4-yl)amino]methyl]piperidin-1-yl]pyridazin-3-one.

Molecular Properties

Compound Name2-methyl-6-[2-[[(6-methyl-5H-pyrrolo[3,2-d]pyrimidin-4-yl)amino]methyl]piperidin-1-yl]pyridazin-3-one
PubChem CID126930873
Molecular FormulaC18H23N7O
Molecular Weight353.43 g/mol
Exact Mass353.20
IUPAC Name2-methyl-6-[2-[[(6-methyl-5H-pyrrolo[3,2-d]pyrimidin-4-yl)amino]methyl]piperidin-1-yl]pyridazin-3-one
SMILESCc1cc2ncnc(NCC3CCCCN3c3ccc(=O)n(C)n3)c2[nH]1
InChIInChI=1S/C18H23N7O/c1-12-9-14-17(22-12)18(21-11-20-14)19-10-13-5-3-4-8-25(13)15-6-7-16(26)24(2)23-15/h6-7,9,11,13,22H,3-5,8,10H2,1-2H3,(H,19,20,21)
InChIKeyFXAUIAQFUGHAEO-UHFFFAOYSA-N
XLogP1.83
TPSA91.73 Ų
H-Bond Donors2
H-Bond Acceptors7
Rotatable Bonds4
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500353.43
LogP ≤ 51.83
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 107

Analyze 2-methyl-6-[2-[[(6-methyl-5H-pyrrolo[3,2-d]pyrimidin-4-yl)amino]methyl]piperidin-1-yl]pyridazin-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-methyl-6-[2-[[(3-methylpyrazin-2-yl)amino]methyl]piperidin-1-yl]pyridazin-3-one
CID 126930745
2-methyl-6-[2-[(6,7,8,9-tetrahydro-5H-cyclohepta[d]pyrimidin-4-ylamino)methyl]piperidin-1-yl]pyridazin-3-one
CID 126930820
N-[[1-(1-methyl-6-oxopyridazin-3-yl)piperidin-2-yl]methyl]-2-oxo-1H-pyridine-4-carboxamide
CID 126930642
2-propan-2-yl-6-[2-[(7H-purin-6-ylamino)methyl]piperidin-1-yl]pyridazin-3-one
CID 126931091
2-propan-2-yl-6-[2-[(pyrido[3,4-d]pyrimidin-4-ylamino)methyl]piperidin-1-yl]pyridazin-3-one
CID 126931249
5-methyl-N-[[1-(1-methyl-6-oxopyridazin-3-yl)piperidin-2-yl]methyl]thiophene-2-carboxamide
CID 126930659
2-(2-hydroxycyclohexyl)-6-[2-[[(2-methylpyrazolo[3,4-d]pyrimidin-4-yl)amino]methyl]piperidin-1-yl]pyridazin-3-one
CID 126931651
2-[[1-(1-methyl-6-oxopyridazin-3-yl)piperidin-2-yl]methylamino]-7,8-dihydro-5H-pyrano[4,3-b]pyridine-3-carbonitrile
CID 126930807
1-(4-fluorophenyl)-N-[[1-(1-methyl-6-oxopyridazin-3-yl)piperidin-2-yl]methyl]cyclopropane-1-carboxamide
CID 126930618
N-[[1-(1-methyl-6-oxopyridazin-3-yl)piperidin-2-yl]methyl]morpholine-4-sulfonamide
CID 126930689
6-[2-[[(2-methylpyrazolo[1,5-a]pyrazin-4-yl)amino]methyl]piperidin-1-yl]-2-propan-2-ylpyridazin-3-one
CID 126931111
2-methyl-6-[2-[(thiadiazol-4-ylmethylamino)methyl]piperidin-1-yl]pyridazin-3-one
CID 126930784

Frequently Asked Questions

What is the IUPAC name of 2-methyl-6-[2-[[(6-methyl-5H-pyrrolo[3,2-d]pyrimidin-4-yl)amino]methyl]piperidin-1-yl]pyridazin-3-one?
The IUPAC name of 2-methyl-6-[2-[[(6-methyl-5H-pyrrolo[3,2-d]pyrimidin-4-yl)amino]methyl]piperidin-1-yl]pyridazin-3-one (CID 126930873) is 2-methyl-6-[2-[[(6-methyl-5H-pyrrolo[3,2-d]pyrimidin-4-yl)amino]methyl]piperidin-1-yl]pyridazin-3-one.
What is the SMILES notation for 2-methyl-6-[2-[[(6-methyl-5H-pyrrolo[3,2-d]pyrimidin-4-yl)amino]methyl]piperidin-1-yl]pyridazin-3-one?
The canonical SMILES for 2-methyl-6-[2-[[(6-methyl-5H-pyrrolo[3,2-d]pyrimidin-4-yl)amino]methyl]piperidin-1-yl]pyridazin-3-one is Cc1cc2ncnc(NCC3CCCCN3c3ccc(=O)n(C)n3)c2[nH]1.
What is the InChIKey of 2-methyl-6-[2-[[(6-methyl-5H-pyrrolo[3,2-d]pyrimidin-4-yl)amino]methyl]piperidin-1-yl]pyridazin-3-one?
The InChIKey is FXAUIAQFUGHAEO-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H23N7O/c1-12-9-14-17(22-12)18(21-11-20-14)19-10-13-5-3-4-8-25(13)15-6-7-16(26)24(2)23-15/h6-7,9,11,13,22H,3-5,8,10H2,1-2H3,(H,19,20,21).
What are the key properties of 2-methyl-6-[2-[[(6-methyl-5H-pyrrolo[3,2-d]pyrimidin-4-yl)amino]methyl]piperidin-1-yl]pyridazin-3-one?
2-methyl-6-[2-[[(6-methyl-5H-pyrrolo[3,2-d]pyrimidin-4-yl)amino]methyl]piperidin-1-yl]pyridazin-3-one has a molecular weight of 353.43 g/mol, XLogP of 1.83, 4 rotatable bonds, 2 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 2-methyl-6-[2-[[(6-methyl-5H-pyrrolo[3,2-d]pyrimidin-4-yl)amino]methyl]piperidin-1-yl]pyridazin-3-one is sourced from PubChem (CID 126930873), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).