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

C21H29N5O — CID 126865563

IUPAC6-cyclopropyl-2-[[1-[(2-methyl-5,6-dihydro-4H-cyclopenta[c]pyrazol-3-yl)methyl]piperidin-4-yl]methyl]pyridazin-3-one
SMILESCn1nc2c(c1CN1CCC(Cn3nc(C4CC4)ccc3=O)CC1)CCC2
InChIInChI=1S/C21H29N5O/c1-24-20(17-3-2-4-19(17)22-24)14-25-11-9-15(10-12-25)13-26-21(27)8-7-18(23-26)16-5-6-16/h7-8,15-16H,2-6,9-14H2,1H3
InChIKeyZGJAKVHIGOEBKA-UHFFFAOYSA-N
MW367.50 g/mol
LogP2.26
Rot. Bonds5

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

6-cyclopropyl-2-[[1-[(2-methyl-5,6-dihydro-4H-cyclopenta[c]pyrazol-3-yl)methyl]piperidin-4-yl]methyl]pyridazin-3-one (PubChem CID 126865563) has the molecular formula C21H29N5O and a molecular weight of 367.50 g/mol. Its IUPAC name is 6-cyclopropyl-2-[[1-[(2-methyl-5,6-dihydro-4H-cyclopenta[c]pyrazol-3-yl)methyl]piperidin-4-yl]methyl]pyridazin-3-one.

Molecular Properties

Compound Name6-cyclopropyl-2-[[1-[(2-methyl-5,6-dihydro-4H-cyclopenta[c]pyrazol-3-yl)methyl]piperidin-4-yl]methyl]pyridazin-3-one
PubChem CID126865563
Molecular FormulaC21H29N5O
Molecular Weight367.50 g/mol
Exact Mass367.24
IUPAC Name6-cyclopropyl-2-[[1-[(2-methyl-5,6-dihydro-4H-cyclopenta[c]pyrazol-3-yl)methyl]piperidin-4-yl]methyl]pyridazin-3-one
SMILESCn1nc2c(c1CN1CCC(Cn3nc(C4CC4)ccc3=O)CC1)CCC2
InChIInChI=1S/C21H29N5O/c1-24-20(17-3-2-4-19(17)22-24)14-25-11-9-15(10-12-25)13-26-21(27)8-7-18(23-26)16-5-6-16/h7-8,15-16H,2-6,9-14H2,1H3
InChIKeyZGJAKVHIGOEBKA-UHFFFAOYSA-N
XLogP2.26
TPSA55.95 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500367.50
LogP ≤ 52.26
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

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

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Related Compounds

2-[[1-[(2-methyl-5,6-dihydro-4H-cyclopenta[c]pyrazol-3-yl)methyl]piperidin-4-yl]methyl]-6-(1,2,4-triazol-1-yl)pyridazin-3-one
CID 126863375
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-methyl-6,7-dihydro-5H-cyclopenta[d]pyrimidin-4-yl)piperidin-4-yl]methyl]pyridazin-3-one
CID 126865550
2-[[1-[(2-methyl-4,5,6,7-tetrahydroindazol-3-yl)methyl]azetidin-3-yl]methyl]-6-pyridin-4-ylpyridazin-3-one
CID 126929915
3-[[1-[(2-methyl-4,5,6,7-tetrahydroindazol-3-yl)methyl]piperidin-4-yl]methyl]-6-pyridin-4-ylpyrimidin-4-one
CID 126942888
6-cyclopropyl-2-[[1-[(1-methyl-6-oxopyrimidin-4-yl)methyl]piperidin-4-yl]methyl]pyridazin-3-one
CID 126865345
6-(3,5-dimethylpyrazol-1-yl)-2-[[1-[(2-methyl-5,6-dihydro-4H-cyclopenta[c]pyrazol-3-yl)methyl]azetidin-3-yl]methyl]pyridazin-3-one
CID 126930282
6-cyclopropyl-2-[[1-[[2-(dimethylamino)pyrimidin-5-yl]methyl]piperidin-4-yl]methyl]pyridazin-3-one
CID 126865361
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-[2-(4-methylpyrazol-1-yl)ethyl]piperidin-4-yl]methyl]pyridazin-3-one
CID 126865435
2-[2-[4-[(2-methyl-5,6-dihydro-4H-cyclopenta[c]pyrazol-3-yl)methyl]piperazin-1-yl]ethyl]-5,6,7,8-tetrahydrocinnolin-3-one
CID 126915161

Frequently Asked Questions

What is the IUPAC name of 6-cyclopropyl-2-[[1-[(2-methyl-5,6-dihydro-4H-cyclopenta[c]pyrazol-3-yl)methyl]piperidin-4-yl]methyl]pyridazin-3-one?
The IUPAC name of 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) is 6-cyclopropyl-2-[[1-[(2-methyl-5,6-dihydro-4H-cyclopenta[c]pyrazol-3-yl)methyl]piperidin-4-yl]methyl]pyridazin-3-one.
What is the SMILES notation for 6-cyclopropyl-2-[[1-[(2-methyl-5,6-dihydro-4H-cyclopenta[c]pyrazol-3-yl)methyl]piperidin-4-yl]methyl]pyridazin-3-one?
The canonical SMILES for 6-cyclopropyl-2-[[1-[(2-methyl-5,6-dihydro-4H-cyclopenta[c]pyrazol-3-yl)methyl]piperidin-4-yl]methyl]pyridazin-3-one is Cn1nc2c(c1CN1CCC(Cn3nc(C4CC4)ccc3=O)CC1)CCC2.
What is the InChIKey of 6-cyclopropyl-2-[[1-[(2-methyl-5,6-dihydro-4H-cyclopenta[c]pyrazol-3-yl)methyl]piperidin-4-yl]methyl]pyridazin-3-one?
The InChIKey is ZGJAKVHIGOEBKA-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H29N5O/c1-24-20(17-3-2-4-19(17)22-24)14-25-11-9-15(10-12-25)13-26-21(27)8-7-18(23-26)16-5-6-16/h7-8,15-16H,2-6,9-14H2,1H3.
What are the key properties of 6-cyclopropyl-2-[[1-[(2-methyl-5,6-dihydro-4H-cyclopenta[c]pyrazol-3-yl)methyl]piperidin-4-yl]methyl]pyridazin-3-one?
6-cyclopropyl-2-[[1-[(2-methyl-5,6-dihydro-4H-cyclopenta[c]pyrazol-3-yl)methyl]piperidin-4-yl]methyl]pyridazin-3-one has a molecular weight of 367.50 g/mol, XLogP of 2.26, 5 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-5,6-dihydro-4H-cyclopenta[c]pyrazol-3-yl)methyl]piperidin-4-yl]methyl]pyridazin-3-one is sourced from PubChem (CID 126865563), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).