cyclohexyl-[4-[[6-(3-methylpyrazol-1-yl)pyridazin-3-yl]amino]piperidin-1-yl]methanone

C20H28N6O — CID 133291151

IUPACcyclohexyl-[4-[[6-(3-methylpyrazol-1-yl)pyridazin-3-yl]amino]piperidin-1-yl]methanone
SMILESCc1ccn(-c2ccc(NC3CCN(C(=O)C4CCCCC4)CC3)nn2)n1
InChIInChI=1S/C20H28N6O/c1-15-9-14-26(24-15)19-8-7-18(22-23-19)21-17-10-12-25(13-11-17)20(27)16-5-3-2-4-6-16/h7-9,14,16-17H,2-6,10-13H2,1H3,(H,21,22)
InChIKeyCNDKUTRFSACDMW-UHFFFAOYSA-N
MW368.49 g/mol
LogP2.95
Rot. Bonds4

About cyclohexyl-[4-[[6-(3-methylpyrazol-1-yl)pyridazin-3-yl]amino]piperidin-1-yl]methanone

cyclohexyl-[4-[[6-(3-methylpyrazol-1-yl)pyridazin-3-yl]amino]piperidin-1-yl]methanone (PubChem CID 133291151) has the molecular formula C20H28N6O and a molecular weight of 368.49 g/mol. Its IUPAC name is cyclohexyl-[4-[[6-(3-methylpyrazol-1-yl)pyridazin-3-yl]amino]piperidin-1-yl]methanone.

Molecular Properties

Compound Namecyclohexyl-[4-[[6-(3-methylpyrazol-1-yl)pyridazin-3-yl]amino]piperidin-1-yl]methanone
PubChem CID133291151
Molecular FormulaC20H28N6O
Molecular Weight368.49 g/mol
Exact Mass368.23
IUPAC Namecyclohexyl-[4-[[6-(3-methylpyrazol-1-yl)pyridazin-3-yl]amino]piperidin-1-yl]methanone
SMILESCc1ccn(-c2ccc(NC3CCN(C(=O)C4CCCCC4)CC3)nn2)n1
InChIInChI=1S/C20H28N6O/c1-15-9-14-26(24-15)19-8-7-18(22-23-19)21-17-10-12-25(13-11-17)20(27)16-5-3-2-4-6-16/h7-9,14,16-17H,2-6,10-13H2,1H3,(H,21,22)
InChIKeyCNDKUTRFSACDMW-UHFFFAOYSA-N
XLogP2.95
TPSA75.94 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500368.49
LogP ≤ 52.95
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Related Compounds

N-[1-[6-(3-methylpyrazol-1-yl)pyridazin-3-yl]piperidin-4-yl]cyclohexanecarboxamide
CID 133291492
3-cyclohexyl-N-[2-[[6-(3-methylpyrazol-1-yl)pyridazin-3-yl]amino]ethyl]propanamide
CID 122327081
[4-[(6-methylpyridazin-3-yl)amino]piperidin-1-yl]-(oxolan-3-yl)methanone
CID 56778602
[1-methyl-2-[[6-(3-methylpyrazol-1-yl)pyridazin-3-yl]amino]cyclopentyl]methanol
CID 71871516
6-(3-methylpyrazol-1-yl)-N-(6-oxaspiro[4.5]decan-9-yl)pyridazin-3-amine
CID 71847338
6-[[1-(cyclohexanecarbonyl)pyrrolidin-3-yl]amino]pyridazine-3-carbonitrile
CID 133420304
[4-[(6-methylpyridazin-3-yl)amino]piperidin-1-yl]-(oxolan-2-yl)methanone
CID 56778579
N-[2-[[6-(3-methylpyrazol-1-yl)pyridazin-3-yl]amino]ethyl]-6-oxopiperidine-3-carboxamide
CID 122327269
N-(cyclopropylmethyl)-2-[[6-(3-methylpyrazol-1-yl)pyridazin-3-yl]amino]acetamide
CID 133441969
[4-[(5-amino-2-pyridinyl)amino]piperidin-1-yl]-cyclopropylmethanone
CID 68722687
1-(2,5-dimethylpyrazol-3-yl)-3-[[6-(3-methylpyrazol-1-yl)pyridazin-3-yl]amino]pyrrolidin-2-one
CID 133325552
(1R,2S)-1-[[6-(3-methylpyrazol-1-yl)pyridazin-3-yl]amino]-2,3-dihydro-1H-inden-2-ol
CID 71865388

Frequently Asked Questions

What is the IUPAC name of cyclohexyl-[4-[[6-(3-methylpyrazol-1-yl)pyridazin-3-yl]amino]piperidin-1-yl]methanone?
The IUPAC name of cyclohexyl-[4-[[6-(3-methylpyrazol-1-yl)pyridazin-3-yl]amino]piperidin-1-yl]methanone (CID 133291151) is cyclohexyl-[4-[[6-(3-methylpyrazol-1-yl)pyridazin-3-yl]amino]piperidin-1-yl]methanone.
What is the SMILES notation for cyclohexyl-[4-[[6-(3-methylpyrazol-1-yl)pyridazin-3-yl]amino]piperidin-1-yl]methanone?
The canonical SMILES for cyclohexyl-[4-[[6-(3-methylpyrazol-1-yl)pyridazin-3-yl]amino]piperidin-1-yl]methanone is Cc1ccn(-c2ccc(NC3CCN(C(=O)C4CCCCC4)CC3)nn2)n1.
What is the InChIKey of cyclohexyl-[4-[[6-(3-methylpyrazol-1-yl)pyridazin-3-yl]amino]piperidin-1-yl]methanone?
The InChIKey is CNDKUTRFSACDMW-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H28N6O/c1-15-9-14-26(24-15)19-8-7-18(22-23-19)21-17-10-12-25(13-11-17)20(27)16-5-3-2-4-6-16/h7-9,14,16-17H,2-6,10-13H2,1H3,(H,21,22).
What are the key properties of cyclohexyl-[4-[[6-(3-methylpyrazol-1-yl)pyridazin-3-yl]amino]piperidin-1-yl]methanone?
cyclohexyl-[4-[[6-(3-methylpyrazol-1-yl)pyridazin-3-yl]amino]piperidin-1-yl]methanone has a molecular weight of 368.49 g/mol, XLogP of 2.95, 4 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for cyclohexyl-[4-[[6-(3-methylpyrazol-1-yl)pyridazin-3-yl]amino]piperidin-1-yl]methanone is sourced from PubChem (CID 133291151), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).