6-cyclopropyl-2-[[1-(2-methyl-6,7-dihydro-5H-cyclopenta[d]pyrimidin-4-yl)piperidin-4-yl]methyl]pyridazin-3-one

C21H27N5O — CID 126865550

IUPAC6-cyclopropyl-2-[[1-(2-methyl-6,7-dihydro-5H-cyclopenta[d]pyrimidin-4-yl)piperidin-4-yl]methyl]pyridazin-3-one
SMILESCc1nc2c(c(N3CCC(Cn4nc(C5CC5)ccc4=O)CC3)n1)CCC2
InChIInChI=1S/C21H27N5O/c1-14-22-19-4-2-3-17(19)21(23-14)25-11-9-15(10-12-25)13-26-20(27)8-7-18(24-26)16-5-6-16/h7-8,15-16H,2-6,9-13H2,1H3
InChIKeyGHEUZYAGXYZKRA-UHFFFAOYSA-N
MW365.48 g/mol
LogP2.62
Rot. Bonds4

About 6-cyclopropyl-2-[[1-(2-methyl-6,7-dihydro-5H-cyclopenta[d]pyrimidin-4-yl)piperidin-4-yl]methyl]pyridazin-3-one

6-cyclopropyl-2-[[1-(2-methyl-6,7-dihydro-5H-cyclopenta[d]pyrimidin-4-yl)piperidin-4-yl]methyl]pyridazin-3-one (PubChem CID 126865550) has the molecular formula C21H27N5O and a molecular weight of 365.48 g/mol. Its IUPAC name is 6-cyclopropyl-2-[[1-(2-methyl-6,7-dihydro-5H-cyclopenta[d]pyrimidin-4-yl)piperidin-4-yl]methyl]pyridazin-3-one.

Molecular Properties

Compound Name6-cyclopropyl-2-[[1-(2-methyl-6,7-dihydro-5H-cyclopenta[d]pyrimidin-4-yl)piperidin-4-yl]methyl]pyridazin-3-one
PubChem CID126865550
Molecular FormulaC21H27N5O
Molecular Weight365.48 g/mol
Exact Mass365.22
IUPAC Name6-cyclopropyl-2-[[1-(2-methyl-6,7-dihydro-5H-cyclopenta[d]pyrimidin-4-yl)piperidin-4-yl]methyl]pyridazin-3-one
SMILESCc1nc2c(c(N3CCC(Cn4nc(C5CC5)ccc4=O)CC3)n1)CCC2
InChIInChI=1S/C21H27N5O/c1-14-22-19-4-2-3-17(19)21(23-14)25-11-9-15(10-12-25)13-26-20(27)8-7-18(24-26)16-5-6-16/h7-8,15-16H,2-6,9-13H2,1H3
InChIKeyGHEUZYAGXYZKRA-UHFFFAOYSA-N
XLogP2.62
TPSA63.91 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500365.48
LogP ≤ 52.62
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

Analyze 6-cyclopropyl-2-[[1-(2-methyl-6,7-dihydro-5H-cyclopenta[d]pyrimidin-4-yl)piperidin-4-yl]methyl]pyridazin-3-one with MolForge

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Related Compounds

6-(2,4-dimethyl-1,3-thiazol-5-yl)-2-[[1-(2-methyl-6,7-dihydro-5H-cyclopenta[d]pyrimidin-4-yl)piperidin-4-yl]methyl]pyridazin-3-one
CID 155799268
3-[[1-(2-methyl-6,7-dihydro-5H-cyclopenta[d]pyrimidin-4-yl)piperidin-4-yl]methyl]pyrimidin-4-one
CID 126945071
6-methyl-2-[[1-(5,6,7,8-tetrahydroquinazolin-4-yl)piperidin-4-yl]methyl]pyridazin-3-one
CID 126864179
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
3-[[1-(2-methyl-6,7-dihydro-5H-cyclopenta[d]pyrimidin-4-yl)piperidin-4-yl]methyl]-6-propan-2-ylpyrimidin-4-one
CID 126942429
2-methyl-4-[4-(triazol-1-ylmethyl)piperidin-1-yl]-5,6,7,8-tetrahydroquinazoline
CID 133462008
6-cyclopropyl-2-[(1-phthalazin-1-ylpiperidin-4-yl)methyl]pyridazin-3-one
CID 126865320
3-[4-[(3-cyclopropyl-6-oxopyridazin-1-yl)methyl]piperidin-1-yl]pyridazine-4-carbonitrile
CID 126865517
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-tert-butyl-2-[[1-(6,7,8,9-tetrahydro-5H-cyclohepta[d]pyrimidin-4-yl)piperidin-4-yl]methyl]pyridazin-3-one
CID 126862576
6-cyclopropyl-2-[[1-(3-cyclopropyl-1,2,4-thiadiazol-5-yl)piperidin-4-yl]methyl]pyridazin-3-one
CID 126865502

Frequently Asked Questions

What is the IUPAC name of 6-cyclopropyl-2-[[1-(2-methyl-6,7-dihydro-5H-cyclopenta[d]pyrimidin-4-yl)piperidin-4-yl]methyl]pyridazin-3-one?
The IUPAC name of 6-cyclopropyl-2-[[1-(2-methyl-6,7-dihydro-5H-cyclopenta[d]pyrimidin-4-yl)piperidin-4-yl]methyl]pyridazin-3-one (CID 126865550) is 6-cyclopropyl-2-[[1-(2-methyl-6,7-dihydro-5H-cyclopenta[d]pyrimidin-4-yl)piperidin-4-yl]methyl]pyridazin-3-one.
What is the SMILES notation for 6-cyclopropyl-2-[[1-(2-methyl-6,7-dihydro-5H-cyclopenta[d]pyrimidin-4-yl)piperidin-4-yl]methyl]pyridazin-3-one?
The canonical SMILES for 6-cyclopropyl-2-[[1-(2-methyl-6,7-dihydro-5H-cyclopenta[d]pyrimidin-4-yl)piperidin-4-yl]methyl]pyridazin-3-one is Cc1nc2c(c(N3CCC(Cn4nc(C5CC5)ccc4=O)CC3)n1)CCC2.
What is the InChIKey of 6-cyclopropyl-2-[[1-(2-methyl-6,7-dihydro-5H-cyclopenta[d]pyrimidin-4-yl)piperidin-4-yl]methyl]pyridazin-3-one?
The InChIKey is GHEUZYAGXYZKRA-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H27N5O/c1-14-22-19-4-2-3-17(19)21(23-14)25-11-9-15(10-12-25)13-26-20(27)8-7-18(24-26)16-5-6-16/h7-8,15-16H,2-6,9-13H2,1H3.
What are the key properties of 6-cyclopropyl-2-[[1-(2-methyl-6,7-dihydro-5H-cyclopenta[d]pyrimidin-4-yl)piperidin-4-yl]methyl]pyridazin-3-one?
6-cyclopropyl-2-[[1-(2-methyl-6,7-dihydro-5H-cyclopenta[d]pyrimidin-4-yl)piperidin-4-yl]methyl]pyridazin-3-one has a molecular weight of 365.48 g/mol, XLogP of 2.62, 4 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 6-cyclopropyl-2-[[1-(2-methyl-6,7-dihydro-5H-cyclopenta[d]pyrimidin-4-yl)piperidin-4-yl]methyl]pyridazin-3-one is sourced from PubChem (CID 126865550), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).