6-cyclopropyl-2-[[1-[4-(dimethylamino)pyrimidin-2-yl]piperidin-4-yl]methyl]pyridazin-3-one

C19H26N6O — CID 126865301

IUPAC6-cyclopropyl-2-[[1-[4-(dimethylamino)pyrimidin-2-yl]piperidin-4-yl]methyl]pyridazin-3-one
SMILESCN(C)c1ccnc(N2CCC(Cn3nc(C4CC4)ccc3=O)CC2)n1
InChIInChI=1S/C19H26N6O/c1-23(2)17-7-10-20-19(21-17)24-11-8-14(9-12-24)13-25-18(26)6-5-16(22-25)15-3-4-15/h5-7,10,14-15H,3-4,8-9,11-13H2,1-2H3
InChIKeyNXEJIYAHLWIKJS-UHFFFAOYSA-N
MW354.46 g/mol
LogP1.89
Rot. Bonds5

About 6-cyclopropyl-2-[[1-[4-(dimethylamino)pyrimidin-2-yl]piperidin-4-yl]methyl]pyridazin-3-one

6-cyclopropyl-2-[[1-[4-(dimethylamino)pyrimidin-2-yl]piperidin-4-yl]methyl]pyridazin-3-one (PubChem CID 126865301) has the molecular formula C19H26N6O and a molecular weight of 354.46 g/mol. Its IUPAC name is 6-cyclopropyl-2-[[1-[4-(dimethylamino)pyrimidin-2-yl]piperidin-4-yl]methyl]pyridazin-3-one.

Molecular Properties

Compound Name6-cyclopropyl-2-[[1-[4-(dimethylamino)pyrimidin-2-yl]piperidin-4-yl]methyl]pyridazin-3-one
PubChem CID126865301
Molecular FormulaC19H26N6O
Molecular Weight354.46 g/mol
Exact Mass354.22
IUPAC Name6-cyclopropyl-2-[[1-[4-(dimethylamino)pyrimidin-2-yl]piperidin-4-yl]methyl]pyridazin-3-one
SMILESCN(C)c1ccnc(N2CCC(Cn3nc(C4CC4)ccc3=O)CC2)n1
InChIInChI=1S/C19H26N6O/c1-23(2)17-7-10-20-19(21-17)24-11-8-14(9-12-24)13-25-18(26)6-5-16(22-25)15-3-4-15/h5-7,10,14-15H,3-4,8-9,11-13H2,1-2H3
InChIKeyNXEJIYAHLWIKJS-UHFFFAOYSA-N
XLogP1.89
TPSA67.15 Ų
H-Bond Donors
H-Bond Acceptors7
Rotatable Bonds5
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500354.46
LogP ≤ 51.89
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 107

Analyze 6-cyclopropyl-2-[[1-[4-(dimethylamino)pyrimidin-2-yl]piperidin-4-yl]methyl]pyridazin-3-one with MolForge

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Related Compounds

3-[[1-[4-(dimethylamino)pyrimidin-2-yl]piperidin-4-yl]methyl]-5-methylpyrimidin-4-one
CID 126940763
6-cyclopropyl-2-[(1-pyrimidin-2-ylazetidin-3-yl)methyl]pyridazin-3-one
CID 126927310
6-cyclopropyl-2-[[1-[[2-(dimethylamino)pyrimidin-5-yl]methyl]piperidin-4-yl]methyl]pyridazin-3-one
CID 126865361
6-cyclopropyl-2-[[1-(3-cyclopropyl-1,2,4-thiadiazol-5-yl)piperidin-4-yl]methyl]pyridazin-3-one
CID 126865502
6-(2,4-dimethyl-1,3-thiazol-5-yl)-2-[[1-(4-methylpyrimidin-2-yl)piperidin-4-yl]methyl]pyridazin-3-one
CID 155798860
1-[1-[4-(dimethylamino)pyrimidin-2-yl]piperidin-4-yl]pyrrolidin-2-one
CID 126899370
ethyl 1-[4-(dimethylamino)pyrimidin-2-yl]piperidine-4-carboxylate
CID 133365954
N-[[1-[4-(dimethylamino)pyrimidin-2-yl]piperidin-4-yl]methyl]-N-methylcyclobutanecarboxamide
CID 171335629
1-[1-[4-(dimethylamino)pyrimidin-2-yl]piperidin-4-yl]-1,3,3-trimethylurea
CID 166603397
6-cyclopropyl-2-[[1-(2-piperidin-1-ylethyl)piperidin-4-yl]methyl]pyridazin-3-one
CID 126865258
2-[[1-[2-(azepan-1-yl)ethyl]piperidin-4-yl]methyl]-6-cyclopropylpyridazin-3-one
CID 126865313
3-[4-[(3-cyclopropyl-6-oxopyridazin-1-yl)methyl]piperidin-1-yl]pyridazine-4-carbonitrile
CID 126865517

Frequently Asked Questions

What is the IUPAC name of 6-cyclopropyl-2-[[1-[4-(dimethylamino)pyrimidin-2-yl]piperidin-4-yl]methyl]pyridazin-3-one?
The IUPAC name of 6-cyclopropyl-2-[[1-[4-(dimethylamino)pyrimidin-2-yl]piperidin-4-yl]methyl]pyridazin-3-one (CID 126865301) is 6-cyclopropyl-2-[[1-[4-(dimethylamino)pyrimidin-2-yl]piperidin-4-yl]methyl]pyridazin-3-one.
What is the SMILES notation for 6-cyclopropyl-2-[[1-[4-(dimethylamino)pyrimidin-2-yl]piperidin-4-yl]methyl]pyridazin-3-one?
The canonical SMILES for 6-cyclopropyl-2-[[1-[4-(dimethylamino)pyrimidin-2-yl]piperidin-4-yl]methyl]pyridazin-3-one is CN(C)c1ccnc(N2CCC(Cn3nc(C4CC4)ccc3=O)CC2)n1.
What is the InChIKey of 6-cyclopropyl-2-[[1-[4-(dimethylamino)pyrimidin-2-yl]piperidin-4-yl]methyl]pyridazin-3-one?
The InChIKey is NXEJIYAHLWIKJS-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H26N6O/c1-23(2)17-7-10-20-19(21-17)24-11-8-14(9-12-24)13-25-18(26)6-5-16(22-25)15-3-4-15/h5-7,10,14-15H,3-4,8-9,11-13H2,1-2H3.
What are the key properties of 6-cyclopropyl-2-[[1-[4-(dimethylamino)pyrimidin-2-yl]piperidin-4-yl]methyl]pyridazin-3-one?
6-cyclopropyl-2-[[1-[4-(dimethylamino)pyrimidin-2-yl]piperidin-4-yl]methyl]pyridazin-3-one has a molecular weight of 354.46 g/mol, XLogP of 1.89, 5 rotatable bonds, 0 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 6-cyclopropyl-2-[[1-[4-(dimethylamino)pyrimidin-2-yl]piperidin-4-yl]methyl]pyridazin-3-one is sourced from PubChem (CID 126865301), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).