cyclopropyl-[4-[5-methyl-4-[[4-(methylamino)-5-(trifluoromethyl)pyrimidin-2-yl]amino]pyrazol-1-yl]piperidin-1-yl]methanone

C19H24F3N7O — CID 69093326

IUPACcyclopropyl-[4-[5-methyl-4-[[4-(methylamino)-5-(trifluoromethyl)pyrimidin-2-yl]amino]pyrazol-1-yl]piperidin-1-yl]methanone
SMILESCNc1nc(Nc2cnn(C3CCN(C(=O)C4CC4)CC3)c2C)ncc1C(F)(F)F
InChIInChI=1S/C19H24F3N7O/c1-11-15(26-18-24-9-14(19(20,21)22)16(23-2)27-18)10-25-29(11)13-5-7-28(8-6-13)17(30)12-3-4-12/h9-10,12-13H,3-8H2,1-2H3,(H2,23,24,26,27)
InChIKeyILBYROKDMYHXJA-UHFFFAOYSA-N
MW423.44 g/mol
LogP3.36
Rot. Bonds5

About cyclopropyl-[4-[5-methyl-4-[[4-(methylamino)-5-(trifluoromethyl)pyrimidin-2-yl]amino]pyrazol-1-yl]piperidin-1-yl]methanone

cyclopropyl-[4-[5-methyl-4-[[4-(methylamino)-5-(trifluoromethyl)pyrimidin-2-yl]amino]pyrazol-1-yl]piperidin-1-yl]methanone (PubChem CID 69093326) has the molecular formula C19H24F3N7O and a molecular weight of 423.44 g/mol. Its IUPAC name is cyclopropyl-[4-[5-methyl-4-[[4-(methylamino)-5-(trifluoromethyl)pyrimidin-2-yl]amino]pyrazol-1-yl]piperidin-1-yl]methanone.

Molecular Properties

Compound Namecyclopropyl-[4-[5-methyl-4-[[4-(methylamino)-5-(trifluoromethyl)pyrimidin-2-yl]amino]pyrazol-1-yl]piperidin-1-yl]methanone
PubChem CID69093326
Molecular FormulaC19H24F3N7O
Molecular Weight423.44 g/mol
Exact Mass423.20
IUPAC Namecyclopropyl-[4-[5-methyl-4-[[4-(methylamino)-5-(trifluoromethyl)pyrimidin-2-yl]amino]pyrazol-1-yl]piperidin-1-yl]methanone
SMILESCNc1nc(Nc2cnn(C3CCN(C(=O)C4CC4)CC3)c2C)ncc1C(F)(F)F
InChIInChI=1S/C19H24F3N7O/c1-11-15(26-18-24-9-14(19(20,21)22)16(23-2)27-18)10-25-29(11)13-5-7-28(8-6-13)17(30)12-3-4-12/h9-10,12-13H,3-8H2,1-2H3,(H2,23,24,26,27)
InChIKeyILBYROKDMYHXJA-UHFFFAOYSA-N
XLogP3.36
TPSA87.97 Ų
H-Bond Donors2
H-Bond Acceptors7
Rotatable Bonds5
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500423.44
LogP ≤ 53.36
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 107

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Frequently Asked Questions

What is the IUPAC name of cyclopropyl-[4-[5-methyl-4-[[4-(methylamino)-5-(trifluoromethyl)pyrimidin-2-yl]amino]pyrazol-1-yl]piperidin-1-yl]methanone?
The IUPAC name of cyclopropyl-[4-[5-methyl-4-[[4-(methylamino)-5-(trifluoromethyl)pyrimidin-2-yl]amino]pyrazol-1-yl]piperidin-1-yl]methanone (CID 69093326) is cyclopropyl-[4-[5-methyl-4-[[4-(methylamino)-5-(trifluoromethyl)pyrimidin-2-yl]amino]pyrazol-1-yl]piperidin-1-yl]methanone.
What is the SMILES notation for cyclopropyl-[4-[5-methyl-4-[[4-(methylamino)-5-(trifluoromethyl)pyrimidin-2-yl]amino]pyrazol-1-yl]piperidin-1-yl]methanone?
The canonical SMILES for cyclopropyl-[4-[5-methyl-4-[[4-(methylamino)-5-(trifluoromethyl)pyrimidin-2-yl]amino]pyrazol-1-yl]piperidin-1-yl]methanone is CNc1nc(Nc2cnn(C3CCN(C(=O)C4CC4)CC3)c2C)ncc1C(F)(F)F.
What is the InChIKey of cyclopropyl-[4-[5-methyl-4-[[4-(methylamino)-5-(trifluoromethyl)pyrimidin-2-yl]amino]pyrazol-1-yl]piperidin-1-yl]methanone?
The InChIKey is ILBYROKDMYHXJA-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H24F3N7O/c1-11-15(26-18-24-9-14(19(20,21)22)16(23-2)27-18)10-25-29(11)13-5-7-28(8-6-13)17(30)12-3-4-12/h9-10,12-13H,3-8H2,1-2H3,(H2,23,24,26,27).
What are the key properties of cyclopropyl-[4-[5-methyl-4-[[4-(methylamino)-5-(trifluoromethyl)pyrimidin-2-yl]amino]pyrazol-1-yl]piperidin-1-yl]methanone?
cyclopropyl-[4-[5-methyl-4-[[4-(methylamino)-5-(trifluoromethyl)pyrimidin-2-yl]amino]pyrazol-1-yl]piperidin-1-yl]methanone has a molecular weight of 423.44 g/mol, XLogP of 3.36, 5 rotatable bonds, 2 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for cyclopropyl-[4-[5-methyl-4-[[4-(methylamino)-5-(trifluoromethyl)pyrimidin-2-yl]amino]pyrazol-1-yl]piperidin-1-yl]methanone is sourced from PubChem (CID 69093326), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).