4-cyclopropyl-1-[6-[4-(3-methyl-2-pyridinyl)piperazin-1-yl]pyridazin-3-yl]butan-1-one

C21H27N5O — CID 158594279

IUPAC4-cyclopropyl-1-[6-[4-(3-methyl-2-pyridinyl)piperazin-1-yl]pyridazin-3-yl]butan-1-one
SMILESCc1cccnc1N1CCN(c2ccc(C(=O)CCCC3CC3)nn2)CC1
InChIInChI=1S/C21H27N5O/c1-16-4-3-11-22-21(16)26-14-12-25(13-15-26)20-10-9-18(23-24-20)19(27)6-2-5-17-7-8-17/h3-4,9-11,17H,2,5-8,12-15H2,1H3
InChIKeyDRYAIWQKMXCLHC-UHFFFAOYSA-N
MW365.48 g/mol
LogP3.27
Rot. Bonds7

About 4-cyclopropyl-1-[6-[4-(3-methyl-2-pyridinyl)piperazin-1-yl]pyridazin-3-yl]butan-1-one

4-cyclopropyl-1-[6-[4-(3-methyl-2-pyridinyl)piperazin-1-yl]pyridazin-3-yl]butan-1-one (PubChem CID 158594279) has the molecular formula C21H27N5O and a molecular weight of 365.48 g/mol. Its IUPAC name is 4-cyclopropyl-1-[6-[4-(3-methyl-2-pyridinyl)piperazin-1-yl]pyridazin-3-yl]butan-1-one.

Molecular Properties

Compound Name4-cyclopropyl-1-[6-[4-(3-methyl-2-pyridinyl)piperazin-1-yl]pyridazin-3-yl]butan-1-one
PubChem CID158594279
Molecular FormulaC21H27N5O
Molecular Weight365.48 g/mol
Exact Mass365.22
IUPAC Name4-cyclopropyl-1-[6-[4-(3-methyl-2-pyridinyl)piperazin-1-yl]pyridazin-3-yl]butan-1-one
SMILESCc1cccnc1N1CCN(c2ccc(C(=O)CCCC3CC3)nn2)CC1
InChIInChI=1S/C21H27N5O/c1-16-4-3-11-22-21(16)26-14-12-25(13-15-26)20-10-9-18(23-24-20)19(27)6-2-5-17-7-8-17/h3-4,9-11,17H,2,5-8,12-15H2,1H3
InChIKeyDRYAIWQKMXCLHC-UHFFFAOYSA-N
XLogP3.27
TPSA62.22 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds7
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500365.48
LogP ≤ 53.27
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

Analyze 4-cyclopropyl-1-[6-[4-(3-methyl-2-pyridinyl)piperazin-1-yl]pyridazin-3-yl]butan-1-one with MolForge

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Related Compounds

4-cyclopropyl-1-[6-[4-[2-(trifluoromethyl)benzoyl]piperazin-1-yl]pyridazin-3-yl]butan-1-one
CID 158967495
1-[6-[4-(2-methylpropyl)piperidin-1-yl]pyridazin-3-yl]butan-1-one
CID 178008605
[1-(3-methyl-2-pyridinyl)piperidin-4-yl]methanol
CID 62254085
[1-(3-methyl-2-pyridinyl)piperidin-3-yl]methanol
CID 62253909
2-[1-(3-methyl-2-pyridinyl)piperidin-4-yl]propan-2-ol
CID 173123484
methyl 1-(3-methyl-2-pyridinyl)piperidine-4-carboxylate
CID 55138629
3-cyclopentyl-1-[4-[6-(2-methylphenyl)pyridazin-3-yl]piperazin-1-yl]propan-1-one
CID 121060046
3-[methyl-[(3R)-1-methylpyrrolidin-3-yl]amino]-1-[4-(3-methyl-2-pyridinyl)piperazin-1-yl]propan-1-one
CID 97150239
1-methyl-4-(3-methyl-2-pyridinyl)piperazine
CID 46739573
3-[1-(6-methylpyridazin-3-yl)piperidin-4-yl]propan-1-ol
CID 19773570
N-(4-chlorophenyl)-N-(cyclopropylmethyl)-4-(3-methyl-2-pyridinyl)piperazine-1-carboxamide
CID 71768327
(1-benzylpiperidin-2-yl)-[4-(3-methyl-2-pyridinyl)piperazin-1-yl]methanone
CID 70781321

Frequently Asked Questions

What is the IUPAC name of 4-cyclopropyl-1-[6-[4-(3-methyl-2-pyridinyl)piperazin-1-yl]pyridazin-3-yl]butan-1-one?
The IUPAC name of 4-cyclopropyl-1-[6-[4-(3-methyl-2-pyridinyl)piperazin-1-yl]pyridazin-3-yl]butan-1-one (CID 158594279) is 4-cyclopropyl-1-[6-[4-(3-methyl-2-pyridinyl)piperazin-1-yl]pyridazin-3-yl]butan-1-one.
What is the SMILES notation for 4-cyclopropyl-1-[6-[4-(3-methyl-2-pyridinyl)piperazin-1-yl]pyridazin-3-yl]butan-1-one?
The canonical SMILES for 4-cyclopropyl-1-[6-[4-(3-methyl-2-pyridinyl)piperazin-1-yl]pyridazin-3-yl]butan-1-one is Cc1cccnc1N1CCN(c2ccc(C(=O)CCCC3CC3)nn2)CC1.
What is the InChIKey of 4-cyclopropyl-1-[6-[4-(3-methyl-2-pyridinyl)piperazin-1-yl]pyridazin-3-yl]butan-1-one?
The InChIKey is DRYAIWQKMXCLHC-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H27N5O/c1-16-4-3-11-22-21(16)26-14-12-25(13-15-26)20-10-9-18(23-24-20)19(27)6-2-5-17-7-8-17/h3-4,9-11,17H,2,5-8,12-15H2,1H3.
What are the key properties of 4-cyclopropyl-1-[6-[4-(3-methyl-2-pyridinyl)piperazin-1-yl]pyridazin-3-yl]butan-1-one?
4-cyclopropyl-1-[6-[4-(3-methyl-2-pyridinyl)piperazin-1-yl]pyridazin-3-yl]butan-1-one has a molecular weight of 365.48 g/mol, XLogP of 3.27, 7 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 4-cyclopropyl-1-[6-[4-(3-methyl-2-pyridinyl)piperazin-1-yl]pyridazin-3-yl]butan-1-one is sourced from PubChem (CID 158594279), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).