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

C20H24F3N7O — CID 126890824

IUPAC[4-[cyclopropyl-[6-(trifluoromethyl)pyrimidin-4-yl]amino]piperidin-1-yl]-[6-(dimethylamino)pyridazin-3-yl]methanone
SMILESCN(C)c1ccc(C(=O)N2CCC(N(c3cc(C(F)(F)F)ncn3)C3CC3)CC2)nn1
InChIInChI=1S/C20H24F3N7O/c1-28(2)17-6-5-15(26-27-17)19(31)29-9-7-14(8-10-29)30(13-3-4-13)18-11-16(20(21,22)23)24-12-25-18/h5-6,11-14H,3-4,7-10H2,1-2H3
InChIKeyZDHMIOGAUBIXMX-UHFFFAOYSA-N
MW435.45 g/mol
LogP2.62
Rot. Bonds5

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

[4-[cyclopropyl-[6-(trifluoromethyl)pyrimidin-4-yl]amino]piperidin-1-yl]-[6-(dimethylamino)pyridazin-3-yl]methanone (PubChem CID 126890824) has the molecular formula C20H24F3N7O and a molecular weight of 435.45 g/mol. Its IUPAC name is [4-[cyclopropyl-[6-(trifluoromethyl)pyrimidin-4-yl]amino]piperidin-1-yl]-[6-(dimethylamino)pyridazin-3-yl]methanone.

Molecular Properties

Compound Name[4-[cyclopropyl-[6-(trifluoromethyl)pyrimidin-4-yl]amino]piperidin-1-yl]-[6-(dimethylamino)pyridazin-3-yl]methanone
PubChem CID126890824
Molecular FormulaC20H24F3N7O
Molecular Weight435.45 g/mol
Exact Mass435.20
IUPAC Name[4-[cyclopropyl-[6-(trifluoromethyl)pyrimidin-4-yl]amino]piperidin-1-yl]-[6-(dimethylamino)pyridazin-3-yl]methanone
SMILESCN(C)c1ccc(C(=O)N2CCC(N(c3cc(C(F)(F)F)ncn3)C3CC3)CC2)nn1
InChIInChI=1S/C20H24F3N7O/c1-28(2)17-6-5-15(26-27-17)19(31)29-9-7-14(8-10-29)30(13-3-4-13)18-11-16(20(21,22)23)24-12-25-18/h5-6,11-14H,3-4,7-10H2,1-2H3
InChIKeyZDHMIOGAUBIXMX-UHFFFAOYSA-N
XLogP2.62
TPSA78.35 Ų
H-Bond Donors
H-Bond Acceptors7
Rotatable Bonds5
Heavy Atoms31
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500435.45
LogP ≤ 52.62
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 107

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

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Related Compounds

[4-[cyclopropyl-(6-methylpyrimidin-4-yl)amino]piperidin-1-yl]-[6-(dimethylamino)pyridazin-3-yl]methanone
CID 126890444
cyclopropyl-[4-[cyclopropyl-[6-(trifluoromethyl)pyrimidin-4-yl]amino]piperidin-1-yl]methanone
CID 126890785
[4-[cyclopropyl-[6-(dimethylamino)pyrimidin-4-yl]amino]piperidin-1-yl]-(1,3-thiazol-4-yl)methanone
CID 126891440
2,1,3-benzothiadiazol-5-yl-[4-[cyclopropyl-[6-(dimethylamino)pyrimidin-4-yl]amino]piperidin-1-yl]methanone
CID 126891389
N-cyclopropyl-N-piperidin-4-yl-6-(trifluoromethyl)pyrimidin-4-amine
CID 126851873
[6-(dimethylamino)pyridazin-3-yl]-[4-[(1S,2R)-2-hydroxycyclopentyl]piperazin-1-yl]methanone
CID 95759729
(3R,4R)-1-[6-(dimethylamino)pyridazine-3-carbonyl]-4-(trifluoromethyl)pyrrolidine-3-carboxylic acid
CID 166254691
[4-[cyclopropyl-(6-methylpyrimidin-4-yl)amino]piperidin-1-yl]-(2-methyl-1,3-oxazol-4-yl)methanone
CID 126890461
6-[4-[cyclopropyl-(6-methoxypyrimidin-4-yl)amino]piperidine-1-carbonyl]-2-methylpyridazin-3-one
CID 126891075
[6-(dimethylamino)pyridazin-3-yl]-[4-(6-methyl-[1,2,4]triazolo[4,3-b]pyridazin-3-yl)piperidin-1-yl]methanone
CID 126910050
[4-[[6-(dimethylamino)pyrimidin-4-yl]amino]piperidin-1-yl]-[6-(trifluoromethyl)-3-pyridinyl]methanone
CID 126888363
5-[[4-[cyclopropyl-[6-(trifluoromethyl)pyrimidin-4-yl]amino]piperidin-1-yl]methyl]-1-methylpyridin-2-one
CID 126890921

Frequently Asked Questions

What is the IUPAC name of [4-[cyclopropyl-[6-(trifluoromethyl)pyrimidin-4-yl]amino]piperidin-1-yl]-[6-(dimethylamino)pyridazin-3-yl]methanone?
The IUPAC name of [4-[cyclopropyl-[6-(trifluoromethyl)pyrimidin-4-yl]amino]piperidin-1-yl]-[6-(dimethylamino)pyridazin-3-yl]methanone (CID 126890824) is [4-[cyclopropyl-[6-(trifluoromethyl)pyrimidin-4-yl]amino]piperidin-1-yl]-[6-(dimethylamino)pyridazin-3-yl]methanone.
What is the SMILES notation for [4-[cyclopropyl-[6-(trifluoromethyl)pyrimidin-4-yl]amino]piperidin-1-yl]-[6-(dimethylamino)pyridazin-3-yl]methanone?
The canonical SMILES for [4-[cyclopropyl-[6-(trifluoromethyl)pyrimidin-4-yl]amino]piperidin-1-yl]-[6-(dimethylamino)pyridazin-3-yl]methanone is CN(C)c1ccc(C(=O)N2CCC(N(c3cc(C(F)(F)F)ncn3)C3CC3)CC2)nn1.
What is the InChIKey of [4-[cyclopropyl-[6-(trifluoromethyl)pyrimidin-4-yl]amino]piperidin-1-yl]-[6-(dimethylamino)pyridazin-3-yl]methanone?
The InChIKey is ZDHMIOGAUBIXMX-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H24F3N7O/c1-28(2)17-6-5-15(26-27-17)19(31)29-9-7-14(8-10-29)30(13-3-4-13)18-11-16(20(21,22)23)24-12-25-18/h5-6,11-14H,3-4,7-10H2,1-2H3.
What are the key properties of [4-[cyclopropyl-[6-(trifluoromethyl)pyrimidin-4-yl]amino]piperidin-1-yl]-[6-(dimethylamino)pyridazin-3-yl]methanone?
[4-[cyclopropyl-[6-(trifluoromethyl)pyrimidin-4-yl]amino]piperidin-1-yl]-[6-(dimethylamino)pyridazin-3-yl]methanone has a molecular weight of 435.45 g/mol, XLogP of 2.62, 5 rotatable bonds, 0 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for [4-[cyclopropyl-[6-(trifluoromethyl)pyrimidin-4-yl]amino]piperidin-1-yl]-[6-(dimethylamino)pyridazin-3-yl]methanone is sourced from PubChem (CID 126890824), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).