2-[3-methyl-7-[[1-[4-(trifluoromethyl)cyclohexyl]piperidin-4-yl]amino]pyrazolo[1,5-a]pyrimidin-5-yl]phenol

C25H30F3N5O — CID 162585214

IUPAC2-[3-methyl-7-[[1-[4-(trifluoromethyl)cyclohexyl]piperidin-4-yl]amino]pyrazolo[1,5-a]pyrimidin-5-yl]phenol
SMILESCc1cnn2c(NC3CCN(C4CCC(C(F)(F)F)CC4)CC3)cc(-c3ccccc3O)nc12
InChIInChI=1S/C25H30F3N5O/c1-16-15-29-33-23(14-21(31-24(16)33)20-4-2-3-5-22(20)34)30-18-10-12-32(13-11-18)19-8-6-17(7-9-19)25(26,27)28/h2-5,14-15,17-19,30,34H,6-13H2,1H3
InChIKeyLYDUGHBTBCPSGR-UHFFFAOYSA-N
MW473.54 g/mol
LogP5.41
Rot. Bonds4

About 2-[3-methyl-7-[[1-[4-(trifluoromethyl)cyclohexyl]piperidin-4-yl]amino]pyrazolo[1,5-a]pyrimidin-5-yl]phenol

2-[3-methyl-7-[[1-[4-(trifluoromethyl)cyclohexyl]piperidin-4-yl]amino]pyrazolo[1,5-a]pyrimidin-5-yl]phenol (PubChem CID 162585214) has the molecular formula C25H30F3N5O and a molecular weight of 473.54 g/mol. Its IUPAC name is 2-[3-methyl-7-[[1-[4-(trifluoromethyl)cyclohexyl]piperidin-4-yl]amino]pyrazolo[1,5-a]pyrimidin-5-yl]phenol.

Molecular Properties

Compound Name2-[3-methyl-7-[[1-[4-(trifluoromethyl)cyclohexyl]piperidin-4-yl]amino]pyrazolo[1,5-a]pyrimidin-5-yl]phenol
PubChem CID162585214
Molecular FormulaC25H30F3N5O
Molecular Weight473.54 g/mol
Exact Mass473.24
IUPAC Name2-[3-methyl-7-[[1-[4-(trifluoromethyl)cyclohexyl]piperidin-4-yl]amino]pyrazolo[1,5-a]pyrimidin-5-yl]phenol
SMILESCc1cnn2c(NC3CCN(C4CCC(C(F)(F)F)CC4)CC3)cc(-c3ccccc3O)nc12
InChIInChI=1S/C25H30F3N5O/c1-16-15-29-33-23(14-21(31-24(16)33)20-4-2-3-5-22(20)34)30-18-10-12-32(13-11-18)19-8-6-17(7-9-19)25(26,27)28/h2-5,14-15,17-19,30,34H,6-13H2,1H3
InChIKeyLYDUGHBTBCPSGR-UHFFFAOYSA-N
XLogP5.41
TPSA65.69 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms34
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500473.54
LogP ≤ 55.41
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

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Related Compounds

3-(7-(4-((1S,4S)-2,5-diazabicyclo[2.2.1]heptan-2-yl)phenyl)-2-(pyridin-4-yl)pyrazolo[1,5-a]pyrimidin-3-yl)phenol
CID 46880075
3-[7-[4-[(1S,4S)-2,5-diazabicyclo[2.2.1]heptan-2-yl]-2-fluorophenyl]-2-pyridin-4-ylpyrazolo[1,5-a]pyrimidin-3-yl]phenol
CID 46880102
5-[7-[4-[(1S,4S)-2,5-diazabicyclo[2.2.1]heptan-2-yl]phenyl]-2-pyridin-4-ylpyrazolo[1,5-a]pyrimidin-3-yl]-2-fluorophenol
CID 46880104
(R)-3-(2-(pyridin-4-yl)-7-(4-(quinuclidin-3-ylamino)phenyl)pyrazolo[1,5-a]pyrimidin-3-yl)phenol
CID 46880074
2-[3-(7-Amino-2-phenylpyrazolo[4,3-d]pyrimidin-5-yl)propyl]phenol
CID 118708238
3-(7-Amino-3-(4-(4-methylpiperazin-1-yl)phenyl)pyrazolo[1,5-a]pyrimidin-6-yl)phenol
CID 11188787
4-(7-Amino-3-(3-(4-methylpiperazin-1-yl)phenyl)pyrazolo[1,5-a]pyrimidin-6-yl)phenol
CID 11574885
4-(7-Amino-3-(4-(4-methylpiperazin-1-yl)phenyl)pyrazolo[1,5-a]pyrimidin-6-yl)phenol
CID 11661290
3-(7-(8-Azabicyclo[3.2.1]octan-3-yl)-2-(pyridin-4-yl)-1,2-dihydropyrazolo[1,5-a]pyrimidin-3-yl)phenol
CID 44225587
5-(7-(8-Ethyl-8-azabicyclo[3.2.1]octan-3-yl)-2-(pyridin-4-yl)pyrazolo[1,5-a]pyrimidin-3-yl)-2-fluorophenol
CID 44226657
3-[6-[(4-Fluorophenyl)methylamino]imidazo[1,2-b]pyridazin-3-yl]phenol
CID 44530402
3-(7-Amino-2-methyl-3-(4-(4-methylpiperazin-1-yl)phenyl)pyrazolo[1,5-a]pyrimidin-6-yl)phenol
CID 46891226

Frequently Asked Questions

What is the IUPAC name of 2-[3-methyl-7-[[1-[4-(trifluoromethyl)cyclohexyl]piperidin-4-yl]amino]pyrazolo[1,5-a]pyrimidin-5-yl]phenol?
The IUPAC name of 2-[3-methyl-7-[[1-[4-(trifluoromethyl)cyclohexyl]piperidin-4-yl]amino]pyrazolo[1,5-a]pyrimidin-5-yl]phenol (CID 162585214) is 2-[3-methyl-7-[[1-[4-(trifluoromethyl)cyclohexyl]piperidin-4-yl]amino]pyrazolo[1,5-a]pyrimidin-5-yl]phenol.
What is the SMILES notation for 2-[3-methyl-7-[[1-[4-(trifluoromethyl)cyclohexyl]piperidin-4-yl]amino]pyrazolo[1,5-a]pyrimidin-5-yl]phenol?
The canonical SMILES for 2-[3-methyl-7-[[1-[4-(trifluoromethyl)cyclohexyl]piperidin-4-yl]amino]pyrazolo[1,5-a]pyrimidin-5-yl]phenol is Cc1cnn2c(NC3CCN(C4CCC(C(F)(F)F)CC4)CC3)cc(-c3ccccc3O)nc12.
What is the InChIKey of 2-[3-methyl-7-[[1-[4-(trifluoromethyl)cyclohexyl]piperidin-4-yl]amino]pyrazolo[1,5-a]pyrimidin-5-yl]phenol?
The InChIKey is LYDUGHBTBCPSGR-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H30F3N5O/c1-16-15-29-33-23(14-21(31-24(16)33)20-4-2-3-5-22(20)34)30-18-10-12-32(13-11-18)19-8-6-17(7-9-19)25(26,27)28/h2-5,14-15,17-19,30,34H,6-13H2,1H3.
What are the key properties of 2-[3-methyl-7-[[1-[4-(trifluoromethyl)cyclohexyl]piperidin-4-yl]amino]pyrazolo[1,5-a]pyrimidin-5-yl]phenol?
2-[3-methyl-7-[[1-[4-(trifluoromethyl)cyclohexyl]piperidin-4-yl]amino]pyrazolo[1,5-a]pyrimidin-5-yl]phenol has a molecular weight of 473.54 g/mol, XLogP of 5.41, 4 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[3-methyl-7-[[1-[4-(trifluoromethyl)cyclohexyl]piperidin-4-yl]amino]pyrazolo[1,5-a]pyrimidin-5-yl]phenol is sourced from PubChem (CID 162585214), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).