6-(3-cyclopropyl-3-fluoroazetidin-1-yl)-N-(5-methyl-1H-pyrazol-3-yl)-2-[[2-(trifluoromethyl)imidazo[1,2-a]pyridin-6-yl]methyl]pyrimidin-4-amine

C23H22F4N8 — CID 59611785

IUPAC6-(3-cyclopropyl-3-fluoroazetidin-1-yl)-N-(5-methyl-1H-pyrazol-3-yl)-2-[[2-(trifluoromethyl)imidazo[1,2-a]pyridin-6-yl]methyl]pyrimidin-4-amine
SMILESCc1cc(Nc2cc(N3CC(F)(C4CC4)C3)nc(Cc3ccc4nc(C(F)(F)F)cn4c3)n2)n[nH]1
InChIInChI=1S/C23H22F4N8/c1-13-6-19(33-32-13)30-18-8-21(35-11-22(24,12-35)15-3-4-15)31-17(29-18)7-14-2-5-20-28-16(23(25,26)27)10-34(20)9-14/h2,5-6,8-10,15H,3-4,7,11-12H2,1H3,(H2,29,30,31,32,33)
InChIKeyTXZVBSXECILXBG-UHFFFAOYSA-N
MW486.48 g/mol
LogP4.45
Rot. Bonds6

About 6-(3-cyclopropyl-3-fluoroazetidin-1-yl)-N-(5-methyl-1H-pyrazol-3-yl)-2-[[2-(trifluoromethyl)imidazo[1,2-a]pyridin-6-yl]methyl]pyrimidin-4-amine

6-(3-cyclopropyl-3-fluoroazetidin-1-yl)-N-(5-methyl-1H-pyrazol-3-yl)-2-[[2-(trifluoromethyl)imidazo[1,2-a]pyridin-6-yl]methyl]pyrimidin-4-amine (PubChem CID 59611785) has the molecular formula C23H22F4N8 and a molecular weight of 486.48 g/mol. Its IUPAC name is 6-(3-cyclopropyl-3-fluoroazetidin-1-yl)-N-(5-methyl-1H-pyrazol-3-yl)-2-[[2-(trifluoromethyl)imidazo[1,2-a]pyridin-6-yl]methyl]pyrimidin-4-amine.

Molecular Properties

Compound Name6-(3-cyclopropyl-3-fluoroazetidin-1-yl)-N-(5-methyl-1H-pyrazol-3-yl)-2-[[2-(trifluoromethyl)imidazo[1,2-a]pyridin-6-yl]methyl]pyrimidin-4-amine
PubChem CID59611785
Molecular FormulaC23H22F4N8
Molecular Weight486.48 g/mol
Exact Mass486.19
IUPAC Name6-(3-cyclopropyl-3-fluoroazetidin-1-yl)-N-(5-methyl-1H-pyrazol-3-yl)-2-[[2-(trifluoromethyl)imidazo[1,2-a]pyridin-6-yl]methyl]pyrimidin-4-amine
SMILESCc1cc(Nc2cc(N3CC(F)(C4CC4)C3)nc(Cc3ccc4nc(C(F)(F)F)cn4c3)n2)n[nH]1
InChIInChI=1S/C23H22F4N8/c1-13-6-19(33-32-13)30-18-8-21(35-11-22(24,12-35)15-3-4-15)31-17(29-18)7-14-2-5-20-28-16(23(25,26)27)10-34(20)9-14/h2,5-6,8-10,15H,3-4,7,11-12H2,1H3,(H2,29,30,31,32,33)
InChIKeyTXZVBSXECILXBG-UHFFFAOYSA-N
XLogP4.45
TPSA87.03 Ų
H-Bond Donors2
H-Bond Acceptors7
Rotatable Bonds6
Heavy Atoms35
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500486.48
LogP ≤ 54.45
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 107

Analyze 6-(3-cyclopropyl-3-fluoroazetidin-1-yl)-N-(5-methyl-1H-pyrazol-3-yl)-2-[[2-(trifluoromethyl)imidazo[1,2-a]pyridin-6-yl]methyl]pyrimidin-4-amine with MolForge

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Related Compounds

1-[4-[4-(3-cyclopropyl-3-fluoroazetidin-1-yl)-6-[(5-methyl-1H-pyrazol-3-yl)amino]pyrimidin-2-yl]oxyphenyl]-4,4,4-trifluorobutan-2-one
CID 59611748
5-[4-(3-cyclopropyl-3-fluoroazetidin-1-yl)-6-[(5-methyl-1H-pyrazol-3-yl)amino]pyrimidin-2-yl]sulfanyl-2-(2,2,2-trifluoroethyl)isoindol-1-ol
CID 91299223
1-cyclopropyl-2-[4-[4-(3-cyclopropyl-3-fluoroazetidin-1-yl)-6-[(5-methyl-1H-pyrazol-3-yl)amino]pyrimidin-2-yl]sulfanylphenyl]ethanone;methane;molecular hydrogen
CID 159108479
1-cyclopropyl-2-[4-[4-(3-cyclopropyl-3-fluoroazetidin-1-yl)-6-[(5-methyl-1H-pyrazol-3-yl)amino]pyrimidin-2-yl]sulfanyl-3-fluorophenyl]ethanone;molecular hydrogen
CID 157163272
6-(3-cyclopropyl-3-fluoroazetidin-1-yl)-N-(5-methyl-1H-pyrazol-3-yl)-2-quinolin-3-ylsulfanylpyrimidin-4-amine;molecular hydrogen
CID 159414488
N-[4-[[4-[(5-methyl-1H-pyrazol-3-yl)amino]-6-[4-(2-oxopropyl)piperazin-1-yl]pyrimidin-2-yl]methyl]phenyl]formamide
CID 143622068
methane;molecular hydrogen;4,4,4-trifluoro-1-[4-[4-(3-fluoro-3-methylazetidin-1-yl)-6-[(5-methyl-1H-pyrazol-3-yl)amino]pyrimidin-2-yl]sulfanylphenyl]butan-2-one
CID 160715733
5-[[4-[[4-(4-methylpiperazin-1-yl)-6-[(5-methyl-1H-pyrazol-3-yl)amino]pyrimidin-2-yl]methyl]phenyl]methyl]-3-oxo-1,2-thiazole-4-carbonitrile
CID 58264148
[2-(trifluoromethyl)imidazo[1,2-a]pyridin-6-yl]methanamine
CID 81463077
1-[4-[4-(3-cyclohexyl-3-hydroxyazetidin-1-yl)-6-[(5-methyl-1H-pyrazol-3-yl)amino]pyrimidin-2-yl]sulfanylphenyl]butan-2-one
CID 160621918
6-(azetidin-1-yl)-2-cyclohexyl-N-(5-methyl-1H-pyrazol-3-yl)pyrimidin-4-amine
CID 24991599
2-[(4-fluorophenyl)methylsulfanyl]-6-(4-methylpiperazin-1-yl)-N-(5-methyl-1H-pyrazol-3-yl)pyrimidin-4-amine
CID 138665084

Frequently Asked Questions

What is the IUPAC name of 6-(3-cyclopropyl-3-fluoroazetidin-1-yl)-N-(5-methyl-1H-pyrazol-3-yl)-2-[[2-(trifluoromethyl)imidazo[1,2-a]pyridin-6-yl]methyl]pyrimidin-4-amine?
The IUPAC name of 6-(3-cyclopropyl-3-fluoroazetidin-1-yl)-N-(5-methyl-1H-pyrazol-3-yl)-2-[[2-(trifluoromethyl)imidazo[1,2-a]pyridin-6-yl]methyl]pyrimidin-4-amine (CID 59611785) is 6-(3-cyclopropyl-3-fluoroazetidin-1-yl)-N-(5-methyl-1H-pyrazol-3-yl)-2-[[2-(trifluoromethyl)imidazo[1,2-a]pyridin-6-yl]methyl]pyrimidin-4-amine.
What is the SMILES notation for 6-(3-cyclopropyl-3-fluoroazetidin-1-yl)-N-(5-methyl-1H-pyrazol-3-yl)-2-[[2-(trifluoromethyl)imidazo[1,2-a]pyridin-6-yl]methyl]pyrimidin-4-amine?
The canonical SMILES for 6-(3-cyclopropyl-3-fluoroazetidin-1-yl)-N-(5-methyl-1H-pyrazol-3-yl)-2-[[2-(trifluoromethyl)imidazo[1,2-a]pyridin-6-yl]methyl]pyrimidin-4-amine is Cc1cc(Nc2cc(N3CC(F)(C4CC4)C3)nc(Cc3ccc4nc(C(F)(F)F)cn4c3)n2)n[nH]1.
What is the InChIKey of 6-(3-cyclopropyl-3-fluoroazetidin-1-yl)-N-(5-methyl-1H-pyrazol-3-yl)-2-[[2-(trifluoromethyl)imidazo[1,2-a]pyridin-6-yl]methyl]pyrimidin-4-amine?
The InChIKey is TXZVBSXECILXBG-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H22F4N8/c1-13-6-19(33-32-13)30-18-8-21(35-11-22(24,12-35)15-3-4-15)31-17(29-18)7-14-2-5-20-28-16(23(25,26)27)10-34(20)9-14/h2,5-6,8-10,15H,3-4,7,11-12H2,1H3,(H2,29,30,31,32,33).
What are the key properties of 6-(3-cyclopropyl-3-fluoroazetidin-1-yl)-N-(5-methyl-1H-pyrazol-3-yl)-2-[[2-(trifluoromethyl)imidazo[1,2-a]pyridin-6-yl]methyl]pyrimidin-4-amine?
6-(3-cyclopropyl-3-fluoroazetidin-1-yl)-N-(5-methyl-1H-pyrazol-3-yl)-2-[[2-(trifluoromethyl)imidazo[1,2-a]pyridin-6-yl]methyl]pyrimidin-4-amine has a molecular weight of 486.48 g/mol, XLogP of 4.45, 6 rotatable bonds, 2 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 6-(3-cyclopropyl-3-fluoroazetidin-1-yl)-N-(5-methyl-1H-pyrazol-3-yl)-2-[[2-(trifluoromethyl)imidazo[1,2-a]pyridin-6-yl]methyl]pyrimidin-4-amine is sourced from PubChem (CID 59611785), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).