[4-[cyclopropyl-(6-methylpyrimidin-4-yl)amino]piperidin-1-yl]-[6-(dimethylamino)pyridazin-3-yl]methanone

C20H27N7O — CID 126890444

IUPAC[4-[cyclopropyl-(6-methylpyrimidin-4-yl)amino]piperidin-1-yl]-[6-(dimethylamino)pyridazin-3-yl]methanone
SMILESCc1cc(N(C2CC2)C2CCN(C(=O)c3ccc(N(C)C)nn3)CC2)ncn1
InChIInChI=1S/C20H27N7O/c1-14-12-19(22-13-21-14)27(15-4-5-15)16-8-10-26(11-9-16)20(28)17-6-7-18(24-23-17)25(2)3/h6-7,12-13,15-16H,4-5,8-11H2,1-3H3
InChIKeyLSCXDSDMGSJFRS-UHFFFAOYSA-N
MW381.48 g/mol
LogP1.91
Rot. Bonds5

About [4-[cyclopropyl-(6-methylpyrimidin-4-yl)amino]piperidin-1-yl]-[6-(dimethylamino)pyridazin-3-yl]methanone

[4-[cyclopropyl-(6-methylpyrimidin-4-yl)amino]piperidin-1-yl]-[6-(dimethylamino)pyridazin-3-yl]methanone (PubChem CID 126890444) has the molecular formula C20H27N7O and a molecular weight of 381.48 g/mol. Its IUPAC name is [4-[cyclopropyl-(6-methylpyrimidin-4-yl)amino]piperidin-1-yl]-[6-(dimethylamino)pyridazin-3-yl]methanone.

Molecular Properties

Compound Name[4-[cyclopropyl-(6-methylpyrimidin-4-yl)amino]piperidin-1-yl]-[6-(dimethylamino)pyridazin-3-yl]methanone
PubChem CID126890444
Molecular FormulaC20H27N7O
Molecular Weight381.48 g/mol
Exact Mass381.23
IUPAC Name[4-[cyclopropyl-(6-methylpyrimidin-4-yl)amino]piperidin-1-yl]-[6-(dimethylamino)pyridazin-3-yl]methanone
SMILESCc1cc(N(C2CC2)C2CCN(C(=O)c3ccc(N(C)C)nn3)CC2)ncn1
InChIInChI=1S/C20H27N7O/c1-14-12-19(22-13-21-14)27(15-4-5-15)16-8-10-26(11-9-16)20(28)17-6-7-18(24-23-17)25(2)3/h6-7,12-13,15-16H,4-5,8-11H2,1-3H3
InChIKeyLSCXDSDMGSJFRS-UHFFFAOYSA-N
XLogP1.91
TPSA78.35 Ų
H-Bond Donors
H-Bond Acceptors7
Rotatable Bonds5
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500381.48
LogP ≤ 51.91
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 107

Analyze [4-[cyclopropyl-(6-methylpyrimidin-4-yl)amino]piperidin-1-yl]-[6-(dimethylamino)pyridazin-3-yl]methanone with MolForge

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Related Compounds

[4-[cyclopropyl-[6-(trifluoromethyl)pyrimidin-4-yl]amino]piperidin-1-yl]-[6-(dimethylamino)pyridazin-3-yl]methanone
CID 126890824
[4-[cyclopropyl-(6-methylpyrimidin-4-yl)amino]piperidin-1-yl]-(2-methyl-1,3-oxazol-4-yl)methanone
CID 126890461
[4-[cyclopropyl-[6-(dimethylamino)pyrimidin-4-yl]amino]piperidin-1-yl]-(1,3-thiazol-4-yl)methanone
CID 126891440
[6-(dimethylamino)pyridazin-3-yl]-[4-(6-methyl-[1,2,4]triazolo[4,3-b]pyridazin-3-yl)piperidin-1-yl]methanone
CID 126910050
2,1,3-benzothiadiazol-5-yl-[4-[cyclopropyl-[6-(dimethylamino)pyrimidin-4-yl]amino]piperidin-1-yl]methanone
CID 126891389
[6-(dimethylamino)pyridazin-3-yl]-[4-[(1S,2R)-2-hydroxycyclopentyl]piperazin-1-yl]methanone
CID 95759729
[6-(dimethylamino)pyridazin-3-yl]-[2-(5,6-dimethylpyrimidin-4-yl)-1,3,3a,4,6,6a-hexahydropyrrolo[3,4-c]pyrrol-5-yl]methanone
CID 126933336
6-[4-[cyclopropyl-(6-methoxypyrimidin-4-yl)amino]piperidine-1-carbonyl]-2-methylpyridazin-3-one
CID 126891075
1-[3-[[4-[cyclopropyl-(6-methylpyrimidin-4-yl)amino]piperidin-1-yl]methyl]-3-hydroxypiperidin-1-yl]ethanone
CID 126890734
isoquinolin-1-yl-[4-[methyl-(6-methylpyrimidin-4-yl)amino]piperidin-1-yl]methanone
CID 126889202
6-[4-[methyl-(6-methylpyrimidin-4-yl)amino]piperidine-1-carbonyl]-1H-pyridin-2-one
CID 126889556
(2,4-dimethyl-1,3-thiazol-5-yl)-[4-[methyl-(6-methylpyrimidin-4-yl)amino]piperidin-1-yl]methanone
CID 126889178

Frequently Asked Questions

What is the IUPAC name of [4-[cyclopropyl-(6-methylpyrimidin-4-yl)amino]piperidin-1-yl]-[6-(dimethylamino)pyridazin-3-yl]methanone?
The IUPAC name of [4-[cyclopropyl-(6-methylpyrimidin-4-yl)amino]piperidin-1-yl]-[6-(dimethylamino)pyridazin-3-yl]methanone (CID 126890444) is [4-[cyclopropyl-(6-methylpyrimidin-4-yl)amino]piperidin-1-yl]-[6-(dimethylamino)pyridazin-3-yl]methanone.
What is the SMILES notation for [4-[cyclopropyl-(6-methylpyrimidin-4-yl)amino]piperidin-1-yl]-[6-(dimethylamino)pyridazin-3-yl]methanone?
The canonical SMILES for [4-[cyclopropyl-(6-methylpyrimidin-4-yl)amino]piperidin-1-yl]-[6-(dimethylamino)pyridazin-3-yl]methanone is Cc1cc(N(C2CC2)C2CCN(C(=O)c3ccc(N(C)C)nn3)CC2)ncn1.
What is the InChIKey of [4-[cyclopropyl-(6-methylpyrimidin-4-yl)amino]piperidin-1-yl]-[6-(dimethylamino)pyridazin-3-yl]methanone?
The InChIKey is LSCXDSDMGSJFRS-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H27N7O/c1-14-12-19(22-13-21-14)27(15-4-5-15)16-8-10-26(11-9-16)20(28)17-6-7-18(24-23-17)25(2)3/h6-7,12-13,15-16H,4-5,8-11H2,1-3H3.
What are the key properties of [4-[cyclopropyl-(6-methylpyrimidin-4-yl)amino]piperidin-1-yl]-[6-(dimethylamino)pyridazin-3-yl]methanone?
[4-[cyclopropyl-(6-methylpyrimidin-4-yl)amino]piperidin-1-yl]-[6-(dimethylamino)pyridazin-3-yl]methanone has a molecular weight of 381.48 g/mol, XLogP of 1.91, 5 rotatable bonds, 0 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for [4-[cyclopropyl-(6-methylpyrimidin-4-yl)amino]piperidin-1-yl]-[6-(dimethylamino)pyridazin-3-yl]methanone is sourced from PubChem (CID 126890444), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).