3-fluoro-5-methyl-7-[(3R)-piperidin-3-yl]-2-[4-(trifluoromethyl)cyclohexyl]pyrazolo[1,5-a]pyrimidine

C19H24F4N4 — CID 169049625

IUPAC3-fluoro-5-methyl-7-[(3R)-piperidin-3-yl]-2-[4-(trifluoromethyl)cyclohexyl]pyrazolo[1,5-a]pyrimidine
SMILESCc1cc([C@@H]2CCCNC2)n2nc(C3CCC(C(F)(F)F)CC3)c(F)c2n1
InChIInChI=1S/C19H24F4N4/c1-11-9-15(13-3-2-8-24-10-13)27-18(25-11)16(20)17(26-27)12-4-6-14(7-5-12)19(21,22)23/h9,12-14,24H,2-8,10H2,1H3/t12?,13-,14?/m1/s1
InChIKeyIDAKABHQZQXEPD-ROKHWSDSSA-N
MW384.42 g/mol
LogP4.48
Rot. Bonds2

About 3-fluoro-5-methyl-7-[(3R)-piperidin-3-yl]-2-[4-(trifluoromethyl)cyclohexyl]pyrazolo[1,5-a]pyrimidine

3-fluoro-5-methyl-7-[(3R)-piperidin-3-yl]-2-[4-(trifluoromethyl)cyclohexyl]pyrazolo[1,5-a]pyrimidine (PubChem CID 169049625) has the molecular formula C19H24F4N4 and a molecular weight of 384.42 g/mol. Its IUPAC name is 3-fluoro-5-methyl-7-[(3R)-piperidin-3-yl]-2-[4-(trifluoromethyl)cyclohexyl]pyrazolo[1,5-a]pyrimidine.

Molecular Properties

Compound Name3-fluoro-5-methyl-7-[(3R)-piperidin-3-yl]-2-[4-(trifluoromethyl)cyclohexyl]pyrazolo[1,5-a]pyrimidine
PubChem CID169049625
Molecular FormulaC19H24F4N4
Molecular Weight384.42 g/mol
Exact Mass384.19
IUPAC Name3-fluoro-5-methyl-7-[(3R)-piperidin-3-yl]-2-[4-(trifluoromethyl)cyclohexyl]pyrazolo[1,5-a]pyrimidine
SMILESCc1cc([C@@H]2CCCNC2)n2nc(C3CCC(C(F)(F)F)CC3)c(F)c2n1
InChIInChI=1S/C19H24F4N4/c1-11-9-15(13-3-2-8-24-10-13)27-18(25-11)16(20)17(26-27)12-4-6-14(7-5-12)19(21,22)23/h9,12-14,24H,2-8,10H2,1H3/t12?,13-,14?/m1/s1
InChIKeyIDAKABHQZQXEPD-ROKHWSDSSA-N
XLogP4.48
TPSA42.22 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500384.42
LogP ≤ 54.48
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Analyze 3-fluoro-5-methyl-7-[(3R)-piperidin-3-yl]-2-[4-(trifluoromethyl)cyclohexyl]pyrazolo[1,5-a]pyrimidine with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

7-(3-azabicyclo[4.1.0]heptan-1-yl)-3-fluoro-5-methyl-2-[4-(trifluoromethyl)cyclohexyl]pyrazolo[1,5-a]pyrimidine
CID 162724119
6-ethyl-5-methyl-7-[(3R)-piperidin-3-yl]-2-[4-(trifluoromethyl)cyclohexyl]pyrazolo[1,5-a]pyrimidine
CID 169049592
5,6-dimethyl-7-[(3S,4S)-4-methylpiperidin-3-yl]-2-[4-(trifluoromethyl)cyclohexyl]pyrazolo[1,5-a]pyrimidine
CID 162724005
4,6-dimethyl-2-piperidin-3-ylpyrimidine
CID 63317441
5,7-dimethyl-3-piperidin-3-ylimidazo[1,2-a]pyrimidine
CID 83840539
4,6-dimethyl-2-piperidin-3-ylpyrimidine;dihydrochloride
CID 71299007
6-ethyl-5-methyl-7-[(3S,4S)-4-methylpiperidin-3-yl]-2-[4-(trifluoromethyl)cyclohexyl]pyrazolo[1,5-a]pyrimidine
CID 169049578
3-(3-cyclopropyl-1-methylpyrazol-5-yl)piperidine
CID 83833173
7-piperidin-3-yl-2-(trifluoromethyl)-[1,2,4]triazolo[1,5-a]pyrimidine;hydrochloride
CID 46737117
2-(difluoromethyl)-6-methyl-4-piperidin-3-ylpyridine
CID 146286074
1-methyl-3-[5-methyl-2-[4-(trifluoromethyl)cyclohexyl]pyrazolo[1,5-a]pyrimidin-7-yl]piperidin-2-one
CID 169049529
methyl (3S)-3-[5-methyl-2-[4-(trifluoromethyl)cyclohexyl]pyrazolo[1,5-a]pyrimidin-7-yl]piperidine-1-carboxylate
CID 162724032

Frequently Asked Questions

What is the IUPAC name of 3-fluoro-5-methyl-7-[(3R)-piperidin-3-yl]-2-[4-(trifluoromethyl)cyclohexyl]pyrazolo[1,5-a]pyrimidine?
The IUPAC name of 3-fluoro-5-methyl-7-[(3R)-piperidin-3-yl]-2-[4-(trifluoromethyl)cyclohexyl]pyrazolo[1,5-a]pyrimidine (CID 169049625) is 3-fluoro-5-methyl-7-[(3R)-piperidin-3-yl]-2-[4-(trifluoromethyl)cyclohexyl]pyrazolo[1,5-a]pyrimidine.
What is the SMILES notation for 3-fluoro-5-methyl-7-[(3R)-piperidin-3-yl]-2-[4-(trifluoromethyl)cyclohexyl]pyrazolo[1,5-a]pyrimidine?
The canonical SMILES for 3-fluoro-5-methyl-7-[(3R)-piperidin-3-yl]-2-[4-(trifluoromethyl)cyclohexyl]pyrazolo[1,5-a]pyrimidine is Cc1cc([C@@H]2CCCNC2)n2nc(C3CCC(C(F)(F)F)CC3)c(F)c2n1.
What is the InChIKey of 3-fluoro-5-methyl-7-[(3R)-piperidin-3-yl]-2-[4-(trifluoromethyl)cyclohexyl]pyrazolo[1,5-a]pyrimidine?
The InChIKey is IDAKABHQZQXEPD-ROKHWSDSSA-N. The full InChI is InChI=1S/C19H24F4N4/c1-11-9-15(13-3-2-8-24-10-13)27-18(25-11)16(20)17(26-27)12-4-6-14(7-5-12)19(21,22)23/h9,12-14,24H,2-8,10H2,1H3/t12?,13-,14?/m1/s1.
What are the key properties of 3-fluoro-5-methyl-7-[(3R)-piperidin-3-yl]-2-[4-(trifluoromethyl)cyclohexyl]pyrazolo[1,5-a]pyrimidine?
3-fluoro-5-methyl-7-[(3R)-piperidin-3-yl]-2-[4-(trifluoromethyl)cyclohexyl]pyrazolo[1,5-a]pyrimidine has a molecular weight of 384.42 g/mol, XLogP of 4.48, 2 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-fluoro-5-methyl-7-[(3R)-piperidin-3-yl]-2-[4-(trifluoromethyl)cyclohexyl]pyrazolo[1,5-a]pyrimidine is sourced from PubChem (CID 169049625), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).