2-methyl-N-(5-methyl-1H-pyrazol-3-yl)-7-(morpholin-4-ylmethyl)-3-[[4-(trifluoromethyl)phenyl]methyl]pyrazolo[1,5-a]pyrimidin-5-amine

C24H26F3N7O — CID 118295466

IUPAC2-methyl-N-(5-methyl-1H-pyrazol-3-yl)-7-(morpholin-4-ylmethyl)-3-[[4-(trifluoromethyl)phenyl]methyl]pyrazolo[1,5-a]pyrimidin-5-amine
SMILESCc1cc(Nc2cc(CN3CCOCC3)n3nc(C)c(Cc4ccc(C(F)(F)F)cc4)c3n2)n[nH]1
InChIInChI=1S/C24H26F3N7O/c1-15-11-22(31-30-15)28-21-13-19(14-33-7-9-35-10-8-33)34-23(29-21)20(16(2)32-34)12-17-3-5-18(6-4-17)24(25,26)27/h3-6,11,13H,7-10,12,14H2,1-2H3,(H2,28,29,30,31)
InChIKeyRZPCJDQFZBTJQS-UHFFFAOYSA-N
MW485.51 g/mol
LogP4.25
Rot. Bonds6

About 2-methyl-N-(5-methyl-1H-pyrazol-3-yl)-7-(morpholin-4-ylmethyl)-3-[[4-(trifluoromethyl)phenyl]methyl]pyrazolo[1,5-a]pyrimidin-5-amine

2-methyl-N-(5-methyl-1H-pyrazol-3-yl)-7-(morpholin-4-ylmethyl)-3-[[4-(trifluoromethyl)phenyl]methyl]pyrazolo[1,5-a]pyrimidin-5-amine (PubChem CID 118295466) has the molecular formula C24H26F3N7O and a molecular weight of 485.51 g/mol. Its IUPAC name is 2-methyl-N-(5-methyl-1H-pyrazol-3-yl)-7-(morpholin-4-ylmethyl)-3-[[4-(trifluoromethyl)phenyl]methyl]pyrazolo[1,5-a]pyrimidin-5-amine.

Molecular Properties

Compound Name2-methyl-N-(5-methyl-1H-pyrazol-3-yl)-7-(morpholin-4-ylmethyl)-3-[[4-(trifluoromethyl)phenyl]methyl]pyrazolo[1,5-a]pyrimidin-5-amine
PubChem CID118295466
Molecular FormulaC24H26F3N7O
Molecular Weight485.51 g/mol
Exact Mass485.22
IUPAC Name2-methyl-N-(5-methyl-1H-pyrazol-3-yl)-7-(morpholin-4-ylmethyl)-3-[[4-(trifluoromethyl)phenyl]methyl]pyrazolo[1,5-a]pyrimidin-5-amine
SMILESCc1cc(Nc2cc(CN3CCOCC3)n3nc(C)c(Cc4ccc(C(F)(F)F)cc4)c3n2)n[nH]1
InChIInChI=1S/C24H26F3N7O/c1-15-11-22(31-30-15)28-21-13-19(14-33-7-9-35-10-8-33)34-23(29-21)20(16(2)32-34)12-17-3-5-18(6-4-17)24(25,26)27/h3-6,11,13H,7-10,12,14H2,1-2H3,(H2,28,29,30,31)
InChIKeyRZPCJDQFZBTJQS-UHFFFAOYSA-N
XLogP4.25
TPSA83.37 Ų
H-Bond Donors2
H-Bond Acceptors7
Rotatable Bonds6
Heavy Atoms35
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500485.51
LogP ≤ 54.25
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 107

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Related Compounds

3-[(4-chloro-2-fluorophenyl)methyl]-2-methyl-N-(1-methylimidazol-4-yl)-7-(morpholin-4-ylmethyl)pyrazolo[1,5-a]pyrimidin-5-amine
CID 118299392
2-methyl-N-(5-methyl-1H-pyrazol-3-yl)-8-(morpholin-4-ylmethyl)imidazo[1,2-b]pyridazin-6-amine
CID 141264848
3-[(4-chloro-2-fluorophenyl)methyl]-2-methyl-N-(5-methyl-1H-pyrazol-3-yl)-8-(morpholin-4-ylmethyl)imidazo[1,2-b]pyridazin-6-amine
CID 46213929
3-[(1S)-1-(5-fluoro-2-pyridinyl)ethyl]-2-methyl-N-(1-methylimidazol-4-yl)-7-(morpholin-4-ylmethyl)pyrazolo[1,5-a]pyrimidin-5-amine
CID 118299321
5-methyl-N-[4-(trifluoromethyl)phenyl]-1H-pyrazol-3-amine
CID 10657722
1-(3,5-dimethyl-1H-pyrazol-4-yl)-4-[[4-(trifluoromethyl)phenyl]methyl]piperazine
CID 90507437
2-[difluoro-(4-fluorophenyl)methyl]-N-(5-methyl-1H-pyrazol-3-yl)-6-(3-morpholin-4-ylpropoxy)pyrrolo[2,1-f][1,2,4]triazin-4-amine
CID 58494441
5-(4-methylpiperazin-1-yl)-N-(5-methyl-1H-pyrazol-3-yl)-2-[4-(trifluoromethyl)phenyl]pyrimidin-4-amine
CID 68954806
N-(5-methyl-1H-pyrazol-3-yl)-6-[[4-(trifluoromethyl)piperazin-1-yl]methyl]pyrazin-2-amine
CID 87864007
4-[[4-[(E)-2-[4-(trifluoromethyl)phenyl]ethenyl]phenyl]methyl]morpholine
CID 118714433
4-N-(5-methyl-1H-pyrazol-3-yl)-6-N-(2-morpholin-4-ylethyl)-2-(2-phenylethenyl)pyrimidine-4,6-diamine
CID 91499361
8-methyl-6-(morpholin-4-ylmethyl)-2-[4-(trifluoromethyl)-2-pyridinyl]-3H-quinazolin-4-one
CID 146308981

Frequently Asked Questions

What is the IUPAC name of 2-methyl-N-(5-methyl-1H-pyrazol-3-yl)-7-(morpholin-4-ylmethyl)-3-[[4-(trifluoromethyl)phenyl]methyl]pyrazolo[1,5-a]pyrimidin-5-amine?
The IUPAC name of 2-methyl-N-(5-methyl-1H-pyrazol-3-yl)-7-(morpholin-4-ylmethyl)-3-[[4-(trifluoromethyl)phenyl]methyl]pyrazolo[1,5-a]pyrimidin-5-amine (CID 118295466) is 2-methyl-N-(5-methyl-1H-pyrazol-3-yl)-7-(morpholin-4-ylmethyl)-3-[[4-(trifluoromethyl)phenyl]methyl]pyrazolo[1,5-a]pyrimidin-5-amine.
What is the SMILES notation for 2-methyl-N-(5-methyl-1H-pyrazol-3-yl)-7-(morpholin-4-ylmethyl)-3-[[4-(trifluoromethyl)phenyl]methyl]pyrazolo[1,5-a]pyrimidin-5-amine?
The canonical SMILES for 2-methyl-N-(5-methyl-1H-pyrazol-3-yl)-7-(morpholin-4-ylmethyl)-3-[[4-(trifluoromethyl)phenyl]methyl]pyrazolo[1,5-a]pyrimidin-5-amine is Cc1cc(Nc2cc(CN3CCOCC3)n3nc(C)c(Cc4ccc(C(F)(F)F)cc4)c3n2)n[nH]1.
What is the InChIKey of 2-methyl-N-(5-methyl-1H-pyrazol-3-yl)-7-(morpholin-4-ylmethyl)-3-[[4-(trifluoromethyl)phenyl]methyl]pyrazolo[1,5-a]pyrimidin-5-amine?
The InChIKey is RZPCJDQFZBTJQS-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H26F3N7O/c1-15-11-22(31-30-15)28-21-13-19(14-33-7-9-35-10-8-33)34-23(29-21)20(16(2)32-34)12-17-3-5-18(6-4-17)24(25,26)27/h3-6,11,13H,7-10,12,14H2,1-2H3,(H2,28,29,30,31).
What are the key properties of 2-methyl-N-(5-methyl-1H-pyrazol-3-yl)-7-(morpholin-4-ylmethyl)-3-[[4-(trifluoromethyl)phenyl]methyl]pyrazolo[1,5-a]pyrimidin-5-amine?
2-methyl-N-(5-methyl-1H-pyrazol-3-yl)-7-(morpholin-4-ylmethyl)-3-[[4-(trifluoromethyl)phenyl]methyl]pyrazolo[1,5-a]pyrimidin-5-amine has a molecular weight of 485.51 g/mol, XLogP of 4.25, 6 rotatable bonds, 2 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 2-methyl-N-(5-methyl-1H-pyrazol-3-yl)-7-(morpholin-4-ylmethyl)-3-[[4-(trifluoromethyl)phenyl]methyl]pyrazolo[1,5-a]pyrimidin-5-amine is sourced from PubChem (CID 118295466), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).