N,N-dimethyl-5-[[4-[2-methyl-7-(trifluoromethyl)pyrazolo[1,5-a]pyrimidin-5-yl]piperidin-1-yl]methyl]pyrimidin-2-amine

C20H24F3N7 — CID 110245112

IUPACN,N-dimethyl-5-[[4-[2-methyl-7-(trifluoromethyl)pyrazolo[1,5-a]pyrimidin-5-yl]piperidin-1-yl]methyl]pyrimidin-2-amine
SMILESCc1cc2nc(C3CCN(Cc4cnc(N(C)C)nc4)CC3)cc(C(F)(F)F)n2n1
InChIInChI=1S/C20H24F3N7/c1-13-8-18-26-16(9-17(20(21,22)23)30(18)27-13)15-4-6-29(7-5-15)12-14-10-24-19(25-11-14)28(2)3/h8-11,15H,4-7,12H2,1-3H3
InChIKeyVDEJUSVLWWPDIO-UHFFFAOYSA-N
MW419.46 g/mol
LogP3.29
Rot. Bonds4

About N,N-dimethyl-5-[[4-[2-methyl-7-(trifluoromethyl)pyrazolo[1,5-a]pyrimidin-5-yl]piperidin-1-yl]methyl]pyrimidin-2-amine

N,N-dimethyl-5-[[4-[2-methyl-7-(trifluoromethyl)pyrazolo[1,5-a]pyrimidin-5-yl]piperidin-1-yl]methyl]pyrimidin-2-amine (PubChem CID 110245112) has the molecular formula C20H24F3N7 and a molecular weight of 419.46 g/mol. Its IUPAC name is N,N-dimethyl-5-[[4-[2-methyl-7-(trifluoromethyl)pyrazolo[1,5-a]pyrimidin-5-yl]piperidin-1-yl]methyl]pyrimidin-2-amine.

Molecular Properties

Compound NameN,N-dimethyl-5-[[4-[2-methyl-7-(trifluoromethyl)pyrazolo[1,5-a]pyrimidin-5-yl]piperidin-1-yl]methyl]pyrimidin-2-amine
PubChem CID110245112
Molecular FormulaC20H24F3N7
Molecular Weight419.46 g/mol
Exact Mass419.20
IUPAC NameN,N-dimethyl-5-[[4-[2-methyl-7-(trifluoromethyl)pyrazolo[1,5-a]pyrimidin-5-yl]piperidin-1-yl]methyl]pyrimidin-2-amine
SMILESCc1cc2nc(C3CCN(Cc4cnc(N(C)C)nc4)CC3)cc(C(F)(F)F)n2n1
InChIInChI=1S/C20H24F3N7/c1-13-8-18-26-16(9-17(20(21,22)23)30(18)27-13)15-4-6-29(7-5-15)12-14-10-24-19(25-11-14)28(2)3/h8-11,15H,4-7,12H2,1-3H3
InChIKeyVDEJUSVLWWPDIO-UHFFFAOYSA-N
XLogP3.29
TPSA62.45 Ų
H-Bond Donors
H-Bond Acceptors7
Rotatable Bonds4
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500419.46
LogP ≤ 53.29
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 107

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Related Compounds

5-[1-[(4-methoxyphenyl)methyl]piperidin-3-yl]-2-methyl-7-(trifluoromethyl)pyrazolo[1,5-a]pyrimidine
CID 110220911
[4-[[(3R)-3-[2-methyl-7-(trifluoromethyl)pyrazolo[1,5-a]pyrimidin-5-yl]piperidin-1-yl]methyl]phenyl] acetate
CID 95801736
[3-(dimethylamino)phenyl]-[4-[2-methyl-7-(trifluoromethyl)pyrazolo[1,5-a]pyrimidin-5-yl]piperidin-1-yl]methanone
CID 95801664
1-[4-[2-methyl-7-(trifluoromethyl)pyrazolo[1,5-a]pyrimidin-5-yl]piperidin-1-yl]-3-phenylpropan-1-one
CID 95801662
5-[1-[(5-fluoro-2-pyridinyl)methyl]piperidin-4-yl]-2,7-dimethylpyrazolo[1,5-a]pyrimidine
CID 110132670
8-[[(3R)-3-[2-methyl-7-(trifluoromethyl)pyrazolo[1,5-a]pyrimidin-5-yl]piperidin-1-yl]methyl]quinoline
CID 95801734
5-[[(3R)-3-[4-[(3-fluorophenyl)methyl]-6-methyl-2-pyridinyl]pyrrolidin-1-yl]methyl]-N,N-dimethylpyrimidin-2-amine
CID 95834716
1-[4-[2-methyl-7-(trifluoromethyl)pyrazolo[1,5-a]pyrimidin-5-yl]piperidin-1-yl]-2-(3,4,5-trimethylpyrazol-1-yl)ethanone
CID 95801688
5-ethyl-2-[1-[(2-methylpyrimidin-5-yl)methyl]piperidin-3-yl]-7-(trifluoromethyl)pyrazolo[1,5-a]pyrimidine
CID 110238453
(2R)-2-[3-[4-[2-methyl-7-(trifluoromethyl)pyrazolo[1,5-a]pyrimidin-5-yl]piperidin-1-yl]-3-oxopropyl]cyclohexan-1-one
CID 95801719
1-[4-[2-methyl-7-(trifluoromethyl)pyrazolo[1,5-a]pyrimidin-5-yl]piperidin-1-yl]-4-(1,2,4-triazol-1-yl)butan-1-one
CID 46953627
2-[1-[(2-methylpyrimidin-5-yl)methyl]piperidin-3-yl]-5-propan-2-yl-7-(trifluoromethyl)pyrazolo[1,5-a]pyrimidine
CID 110238446

Frequently Asked Questions

What is the IUPAC name of N,N-dimethyl-5-[[4-[2-methyl-7-(trifluoromethyl)pyrazolo[1,5-a]pyrimidin-5-yl]piperidin-1-yl]methyl]pyrimidin-2-amine?
The IUPAC name of N,N-dimethyl-5-[[4-[2-methyl-7-(trifluoromethyl)pyrazolo[1,5-a]pyrimidin-5-yl]piperidin-1-yl]methyl]pyrimidin-2-amine (CID 110245112) is N,N-dimethyl-5-[[4-[2-methyl-7-(trifluoromethyl)pyrazolo[1,5-a]pyrimidin-5-yl]piperidin-1-yl]methyl]pyrimidin-2-amine.
What is the SMILES notation for N,N-dimethyl-5-[[4-[2-methyl-7-(trifluoromethyl)pyrazolo[1,5-a]pyrimidin-5-yl]piperidin-1-yl]methyl]pyrimidin-2-amine?
The canonical SMILES for N,N-dimethyl-5-[[4-[2-methyl-7-(trifluoromethyl)pyrazolo[1,5-a]pyrimidin-5-yl]piperidin-1-yl]methyl]pyrimidin-2-amine is Cc1cc2nc(C3CCN(Cc4cnc(N(C)C)nc4)CC3)cc(C(F)(F)F)n2n1.
What is the InChIKey of N,N-dimethyl-5-[[4-[2-methyl-7-(trifluoromethyl)pyrazolo[1,5-a]pyrimidin-5-yl]piperidin-1-yl]methyl]pyrimidin-2-amine?
The InChIKey is VDEJUSVLWWPDIO-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H24F3N7/c1-13-8-18-26-16(9-17(20(21,22)23)30(18)27-13)15-4-6-29(7-5-15)12-14-10-24-19(25-11-14)28(2)3/h8-11,15H,4-7,12H2,1-3H3.
What are the key properties of N,N-dimethyl-5-[[4-[2-methyl-7-(trifluoromethyl)pyrazolo[1,5-a]pyrimidin-5-yl]piperidin-1-yl]methyl]pyrimidin-2-amine?
N,N-dimethyl-5-[[4-[2-methyl-7-(trifluoromethyl)pyrazolo[1,5-a]pyrimidin-5-yl]piperidin-1-yl]methyl]pyrimidin-2-amine has a molecular weight of 419.46 g/mol, XLogP of 3.29, 4 rotatable bonds, 0 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for N,N-dimethyl-5-[[4-[2-methyl-7-(trifluoromethyl)pyrazolo[1,5-a]pyrimidin-5-yl]piperidin-1-yl]methyl]pyrimidin-2-amine is sourced from PubChem (CID 110245112), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).