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

C19H25N5O2 — CID 126865345

IUPAC6-cyclopropyl-2-[[1-[(1-methyl-6-oxopyrimidin-4-yl)methyl]piperidin-4-yl]methyl]pyridazin-3-one
SMILESCn1cnc(CN2CCC(Cn3nc(C4CC4)ccc3=O)CC2)cc1=O
InChIInChI=1S/C19H25N5O2/c1-22-13-20-16(10-19(22)26)12-23-8-6-14(7-9-23)11-24-18(25)5-4-17(21-24)15-2-3-15/h4-5,10,13-15H,2-3,6-9,11-12H2,1H3
InChIKeyBMQBUYDZSMBNBG-UHFFFAOYSA-N
MW355.44 g/mol
LogP1.13
Rot. Bonds5

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

6-cyclopropyl-2-[[1-[(1-methyl-6-oxopyrimidin-4-yl)methyl]piperidin-4-yl]methyl]pyridazin-3-one (PubChem CID 126865345) has the molecular formula C19H25N5O2 and a molecular weight of 355.44 g/mol. Its IUPAC name is 6-cyclopropyl-2-[[1-[(1-methyl-6-oxopyrimidin-4-yl)methyl]piperidin-4-yl]methyl]pyridazin-3-one.

Molecular Properties

Compound Name6-cyclopropyl-2-[[1-[(1-methyl-6-oxopyrimidin-4-yl)methyl]piperidin-4-yl]methyl]pyridazin-3-one
PubChem CID126865345
Molecular FormulaC19H25N5O2
Molecular Weight355.44 g/mol
Exact Mass355.20
IUPAC Name6-cyclopropyl-2-[[1-[(1-methyl-6-oxopyrimidin-4-yl)methyl]piperidin-4-yl]methyl]pyridazin-3-one
SMILESCn1cnc(CN2CCC(Cn3nc(C4CC4)ccc3=O)CC2)cc1=O
InChIInChI=1S/C19H25N5O2/c1-22-13-20-16(10-19(22)26)12-23-8-6-14(7-9-23)11-24-18(25)5-4-17(21-24)15-2-3-15/h4-5,10,13-15H,2-3,6-9,11-12H2,1H3
InChIKeyBMQBUYDZSMBNBG-UHFFFAOYSA-N
XLogP1.13
TPSA73.02 Ų
H-Bond Donors
H-Bond Acceptors7
Rotatable Bonds5
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500355.44
LogP ≤ 51.13
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 107

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

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Launch Full Analysis

Related Compounds

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
6-cyclopropyl-2-[[1-[[2-(dimethylamino)pyrimidin-5-yl]methyl]piperidin-4-yl]methyl]pyridazin-3-one
CID 126865361
6-cyclopropyl-2-[[1-[(2-methyl-5,6-dihydro-4H-cyclopenta[c]pyrazol-3-yl)methyl]piperidin-4-yl]methyl]pyridazin-3-one
CID 126865563
6-cyclopropyl-2-[[1-[2-(4-methylpyrazol-1-yl)ethyl]piperidin-4-yl]methyl]pyridazin-3-one
CID 126865435
6-cyclopropyl-2-[[1-[(5-methyl-1H-pyrazol-3-yl)methyl]azetidin-3-yl]methyl]pyridazin-3-one
CID 126927480
6-cyclopropyl-2-[[1-(5,6-dihydro-4H-pyrrolo[2,1-e]pyrazol-3-ylmethyl)piperidin-4-yl]methyl]pyridazin-3-one
CID 126865336
6-cyclopropyl-2-[[1-[[5-(oxan-4-yl)-1,3,4-oxadiazol-2-yl]methyl]piperidin-4-yl]methyl]pyridazin-3-one
CID 126865387
6-methyl-2-[[1-[(2-methylpyrimidin-4-yl)methyl]piperidin-4-yl]methyl]pyridazin-3-one
CID 126864051
2-[[1-[(2-cyclopropylpyrimidin-5-yl)methyl]piperidin-4-yl]methyl]-6-methylpyridazin-3-one
CID 126864046
6-cyclopropyl-2-[[1-(2-morpholin-4-ylethyl)azetidin-3-yl]methyl]pyridazin-3-one
CID 126927332
6-cyclopropyl-2-[[1-(pyrimidin-2-ylmethyl)azetidin-3-yl]methyl]pyridazin-3-one
CID 126927427

Frequently Asked Questions

What is the IUPAC name of 6-cyclopropyl-2-[[1-[(1-methyl-6-oxopyrimidin-4-yl)methyl]piperidin-4-yl]methyl]pyridazin-3-one?
The IUPAC name of 6-cyclopropyl-2-[[1-[(1-methyl-6-oxopyrimidin-4-yl)methyl]piperidin-4-yl]methyl]pyridazin-3-one (CID 126865345) is 6-cyclopropyl-2-[[1-[(1-methyl-6-oxopyrimidin-4-yl)methyl]piperidin-4-yl]methyl]pyridazin-3-one.
What is the SMILES notation for 6-cyclopropyl-2-[[1-[(1-methyl-6-oxopyrimidin-4-yl)methyl]piperidin-4-yl]methyl]pyridazin-3-one?
The canonical SMILES for 6-cyclopropyl-2-[[1-[(1-methyl-6-oxopyrimidin-4-yl)methyl]piperidin-4-yl]methyl]pyridazin-3-one is Cn1cnc(CN2CCC(Cn3nc(C4CC4)ccc3=O)CC2)cc1=O.
What is the InChIKey of 6-cyclopropyl-2-[[1-[(1-methyl-6-oxopyrimidin-4-yl)methyl]piperidin-4-yl]methyl]pyridazin-3-one?
The InChIKey is BMQBUYDZSMBNBG-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H25N5O2/c1-22-13-20-16(10-19(22)26)12-23-8-6-14(7-9-23)11-24-18(25)5-4-17(21-24)15-2-3-15/h4-5,10,13-15H,2-3,6-9,11-12H2,1H3.
What are the key properties of 6-cyclopropyl-2-[[1-[(1-methyl-6-oxopyrimidin-4-yl)methyl]piperidin-4-yl]methyl]pyridazin-3-one?
6-cyclopropyl-2-[[1-[(1-methyl-6-oxopyrimidin-4-yl)methyl]piperidin-4-yl]methyl]pyridazin-3-one has a molecular weight of 355.44 g/mol, XLogP of 1.13, 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-[(1-methyl-6-oxopyrimidin-4-yl)methyl]piperidin-4-yl]methyl]pyridazin-3-one is sourced from PubChem (CID 126865345), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).