2-[[1-[(2-cyclobutylpyrimidin-5-yl)methyl]pyrrolidin-2-yl]methyl]-6-cyclopropylpyridazin-3-one

C21H27N5O — CID 126923616

IUPAC2-[[1-[(2-cyclobutylpyrimidin-5-yl)methyl]pyrrolidin-2-yl]methyl]-6-cyclopropylpyridazin-3-one
SMILESO=c1ccc(C2CC2)nn1CC1CCCN1Cc1cnc(C2CCC2)nc1
InChIInChI=1S/C21H27N5O/c27-20-9-8-19(16-6-7-16)24-26(20)14-18-5-2-10-25(18)13-15-11-22-21(23-12-15)17-3-1-4-17/h8-9,11-12,16-18H,1-7,10,13-14H2
InChIKeyGZDMPMRHLPPJER-UHFFFAOYSA-N
MW365.48 g/mol
LogP2.84
Rot. Bonds6

About 2-[[1-[(2-cyclobutylpyrimidin-5-yl)methyl]pyrrolidin-2-yl]methyl]-6-cyclopropylpyridazin-3-one

2-[[1-[(2-cyclobutylpyrimidin-5-yl)methyl]pyrrolidin-2-yl]methyl]-6-cyclopropylpyridazin-3-one (PubChem CID 126923616) has the molecular formula C21H27N5O and a molecular weight of 365.48 g/mol. Its IUPAC name is 2-[[1-[(2-cyclobutylpyrimidin-5-yl)methyl]pyrrolidin-2-yl]methyl]-6-cyclopropylpyridazin-3-one.

Molecular Properties

Compound Name2-[[1-[(2-cyclobutylpyrimidin-5-yl)methyl]pyrrolidin-2-yl]methyl]-6-cyclopropylpyridazin-3-one
PubChem CID126923616
Molecular FormulaC21H27N5O
Molecular Weight365.48 g/mol
Exact Mass365.22
IUPAC Name2-[[1-[(2-cyclobutylpyrimidin-5-yl)methyl]pyrrolidin-2-yl]methyl]-6-cyclopropylpyridazin-3-one
SMILESO=c1ccc(C2CC2)nn1CC1CCCN1Cc1cnc(C2CCC2)nc1
InChIInChI=1S/C21H27N5O/c27-20-9-8-19(16-6-7-16)24-26(20)14-18-5-2-10-25(18)13-15-11-22-21(23-12-15)17-3-1-4-17/h8-9,11-12,16-18H,1-7,10,13-14H2
InChIKeyGZDMPMRHLPPJER-UHFFFAOYSA-N
XLogP2.84
TPSA63.91 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds6
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500365.48
LogP ≤ 52.84
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

Analyze 2-[[1-[(2-cyclobutylpyrimidin-5-yl)methyl]pyrrolidin-2-yl]methyl]-6-cyclopropylpyridazin-3-one with MolForge

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Related Compounds

2-[[1-[(2-cyclobutylpyrimidin-5-yl)methyl]pyrrolidin-2-yl]methyl]-6-imidazol-1-ylpyridazin-3-one
CID 126926538
2-[[1-[(2-cyclobutylpyrimidin-5-yl)methyl]pyrrolidin-2-yl]methyl]-7,8-dihydro-5H-thiopyrano[4,3-c]pyridazin-3-one
CID 126925456
6-cyclopropyl-2-[[1-[(2-cyclopropylpyrimidin-5-yl)methyl]azetidin-3-yl]methyl]pyridazin-3-one
CID 126927419
6-cyclopropyl-2-[[1-[(1-methyl-6-oxopyrazin-2-yl)methyl]pyrrolidin-2-yl]methyl]pyridazin-3-one
CID 126923606
6-cyclopropyl-2-[[1-[(5-methyl-1,3-oxazol-4-yl)methyl]pyrrolidin-2-yl]methyl]pyridazin-3-one
CID 126923654
6-cyclopropyl-2-[[1-(3-cyclopropylpyrazin-2-yl)pyrrolidin-2-yl]methyl]pyridazin-3-one
CID 126923719
2-[[1-[(2-methylpyrimidin-5-yl)methyl]pyrrolidin-2-yl]methyl]-6-pyridin-3-ylpyridazin-3-one
CID 126925824
6-cyclopropyl-2-[[1-[2-(2-oxopyrazin-1-yl)ethyl]pyrrolidin-2-yl]methyl]pyridazin-3-one
CID 126923609
2-[[1-(5-chloropyrimidin-2-yl)pyrrolidin-2-yl]methyl]-6-cyclopropylpyridazin-3-one
CID 126923501
2-[[1-[(2-cyclopropylpyrimidin-4-yl)methyl]pyrrolidin-2-yl]methyl]-6-pyridin-3-ylpyridazin-3-one
CID 126925827
[(2S)-1-[(2-cyclohexylpyrimidin-5-yl)methyl]azepan-2-yl]methanol
CID 99929248
N-cyclopentyl-2-[(3-cyclopropyl-6-oxopyridazin-1-yl)methyl]pyrrolidine-1-carboxamide
CID 126923428

Frequently Asked Questions

What is the IUPAC name of 2-[[1-[(2-cyclobutylpyrimidin-5-yl)methyl]pyrrolidin-2-yl]methyl]-6-cyclopropylpyridazin-3-one?
The IUPAC name of 2-[[1-[(2-cyclobutylpyrimidin-5-yl)methyl]pyrrolidin-2-yl]methyl]-6-cyclopropylpyridazin-3-one (CID 126923616) is 2-[[1-[(2-cyclobutylpyrimidin-5-yl)methyl]pyrrolidin-2-yl]methyl]-6-cyclopropylpyridazin-3-one.
What is the SMILES notation for 2-[[1-[(2-cyclobutylpyrimidin-5-yl)methyl]pyrrolidin-2-yl]methyl]-6-cyclopropylpyridazin-3-one?
The canonical SMILES for 2-[[1-[(2-cyclobutylpyrimidin-5-yl)methyl]pyrrolidin-2-yl]methyl]-6-cyclopropylpyridazin-3-one is O=c1ccc(C2CC2)nn1CC1CCCN1Cc1cnc(C2CCC2)nc1.
What is the InChIKey of 2-[[1-[(2-cyclobutylpyrimidin-5-yl)methyl]pyrrolidin-2-yl]methyl]-6-cyclopropylpyridazin-3-one?
The InChIKey is GZDMPMRHLPPJER-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H27N5O/c27-20-9-8-19(16-6-7-16)24-26(20)14-18-5-2-10-25(18)13-15-11-22-21(23-12-15)17-3-1-4-17/h8-9,11-12,16-18H,1-7,10,13-14H2.
What are the key properties of 2-[[1-[(2-cyclobutylpyrimidin-5-yl)methyl]pyrrolidin-2-yl]methyl]-6-cyclopropylpyridazin-3-one?
2-[[1-[(2-cyclobutylpyrimidin-5-yl)methyl]pyrrolidin-2-yl]methyl]-6-cyclopropylpyridazin-3-one has a molecular weight of 365.48 g/mol, XLogP of 2.84, 6 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[[1-[(2-cyclobutylpyrimidin-5-yl)methyl]pyrrolidin-2-yl]methyl]-6-cyclopropylpyridazin-3-one is sourced from PubChem (CID 126923616), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).