N-methyl-3-[[4-[5-propan-2-yl-7-(trifluoromethyl)pyrazolo[1,5-a]pyrimidin-2-yl]piperidin-1-yl]methyl]pyridin-2-amine

C22H27F3N6 — CID 46955658

IUPACN-methyl-3-[[4-[5-propan-2-yl-7-(trifluoromethyl)pyrazolo[1,5-a]pyrimidin-2-yl]piperidin-1-yl]methyl]pyridin-2-amine
SMILESCNc1ncccc1CN1CCC(c2cc3nc(C(C)C)cc(C(F)(F)F)n3n2)CC1
InChIInChI=1S/C22H27F3N6/c1-14(2)17-11-19(22(23,24)25)31-20(28-17)12-18(29-31)15-6-9-30(10-7-15)13-16-5-4-8-27-21(16)26-3/h4-5,8,11-12,14-15H,6-7,9-10,13H2,1-3H3,(H,26,27)
InChIKeyOZBOEZHGLGVWNU-UHFFFAOYSA-N
MW432.49 g/mol
LogP4.69
Rot. Bonds5

About N-methyl-3-[[4-[5-propan-2-yl-7-(trifluoromethyl)pyrazolo[1,5-a]pyrimidin-2-yl]piperidin-1-yl]methyl]pyridin-2-amine

N-methyl-3-[[4-[5-propan-2-yl-7-(trifluoromethyl)pyrazolo[1,5-a]pyrimidin-2-yl]piperidin-1-yl]methyl]pyridin-2-amine (PubChem CID 46955658) has the molecular formula C22H27F3N6 and a molecular weight of 432.49 g/mol. Its IUPAC name is N-methyl-3-[[4-[5-propan-2-yl-7-(trifluoromethyl)pyrazolo[1,5-a]pyrimidin-2-yl]piperidin-1-yl]methyl]pyridin-2-amine.

Molecular Properties

Compound NameN-methyl-3-[[4-[5-propan-2-yl-7-(trifluoromethyl)pyrazolo[1,5-a]pyrimidin-2-yl]piperidin-1-yl]methyl]pyridin-2-amine
PubChem CID46955658
Molecular FormulaC22H27F3N6
Molecular Weight432.49 g/mol
Exact Mass432.22
IUPAC NameN-methyl-3-[[4-[5-propan-2-yl-7-(trifluoromethyl)pyrazolo[1,5-a]pyrimidin-2-yl]piperidin-1-yl]methyl]pyridin-2-amine
SMILESCNc1ncccc1CN1CCC(c2cc3nc(C(C)C)cc(C(F)(F)F)n3n2)CC1
InChIInChI=1S/C22H27F3N6/c1-14(2)17-11-19(22(23,24)25)31-20(28-17)12-18(29-31)15-6-9-30(10-7-15)13-16-5-4-8-27-21(16)26-3/h4-5,8,11-12,14-15H,6-7,9-10,13H2,1-3H3,(H,26,27)
InChIKeyOZBOEZHGLGVWNU-UHFFFAOYSA-N
XLogP4.69
TPSA58.35 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms31
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500432.49
LogP ≤ 54.69
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of N-methyl-3-[[4-[5-propan-2-yl-7-(trifluoromethyl)pyrazolo[1,5-a]pyrimidin-2-yl]piperidin-1-yl]methyl]pyridin-2-amine?
The IUPAC name of N-methyl-3-[[4-[5-propan-2-yl-7-(trifluoromethyl)pyrazolo[1,5-a]pyrimidin-2-yl]piperidin-1-yl]methyl]pyridin-2-amine (CID 46955658) is N-methyl-3-[[4-[5-propan-2-yl-7-(trifluoromethyl)pyrazolo[1,5-a]pyrimidin-2-yl]piperidin-1-yl]methyl]pyridin-2-amine.
What is the SMILES notation for N-methyl-3-[[4-[5-propan-2-yl-7-(trifluoromethyl)pyrazolo[1,5-a]pyrimidin-2-yl]piperidin-1-yl]methyl]pyridin-2-amine?
The canonical SMILES for N-methyl-3-[[4-[5-propan-2-yl-7-(trifluoromethyl)pyrazolo[1,5-a]pyrimidin-2-yl]piperidin-1-yl]methyl]pyridin-2-amine is CNc1ncccc1CN1CCC(c2cc3nc(C(C)C)cc(C(F)(F)F)n3n2)CC1.
What is the InChIKey of N-methyl-3-[[4-[5-propan-2-yl-7-(trifluoromethyl)pyrazolo[1,5-a]pyrimidin-2-yl]piperidin-1-yl]methyl]pyridin-2-amine?
The InChIKey is OZBOEZHGLGVWNU-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H27F3N6/c1-14(2)17-11-19(22(23,24)25)31-20(28-17)12-18(29-31)15-6-9-30(10-7-15)13-16-5-4-8-27-21(16)26-3/h4-5,8,11-12,14-15H,6-7,9-10,13H2,1-3H3,(H,26,27).
What are the key properties of N-methyl-3-[[4-[5-propan-2-yl-7-(trifluoromethyl)pyrazolo[1,5-a]pyrimidin-2-yl]piperidin-1-yl]methyl]pyridin-2-amine?
N-methyl-3-[[4-[5-propan-2-yl-7-(trifluoromethyl)pyrazolo[1,5-a]pyrimidin-2-yl]piperidin-1-yl]methyl]pyridin-2-amine has a molecular weight of 432.49 g/mol, XLogP of 4.69, 5 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-methyl-3-[[4-[5-propan-2-yl-7-(trifluoromethyl)pyrazolo[1,5-a]pyrimidin-2-yl]piperidin-1-yl]methyl]pyridin-2-amine is sourced from PubChem (CID 46955658), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).