6-bromo-7-methyl-5-[1-(2-methylpropyl)piperidin-4-yl]-3-[6-[4-(trifluoromethoxy)phenyl]-3-pyridinyl]pyrazolo[1,5-a]pyrimidine

C28H29BrF3N5O — CID 91310397

IUPAC6-bromo-7-methyl-5-[1-(2-methylpropyl)piperidin-4-yl]-3-[6-[4-(trifluoromethoxy)phenyl]-3-pyridinyl]pyrazolo[1,5-a]pyrimidine
SMILESCc1c(Br)c(C2CCN(CC(C)C)CC2)nc2c(-c3ccc(-c4ccc(OC(F)(F)F)cc4)nc3)cnn12
InChIInChI=1S/C28H29BrF3N5O/c1-17(2)16-36-12-10-20(11-13-36)26-25(29)18(3)37-27(35-26)23(15-34-37)21-6-9-24(33-14-21)19-4-7-22(8-5-19)38-28(30,31)32/h4-9,14-15,17,20H,10-13,16H2,1-3H3
InChIKeyLDFRMRKDUHNKKR-UHFFFAOYSA-N
MW588.47 g/mol
LogP7.26
Rot. Bonds6

About 6-bromo-7-methyl-5-[1-(2-methylpropyl)piperidin-4-yl]-3-[6-[4-(trifluoromethoxy)phenyl]-3-pyridinyl]pyrazolo[1,5-a]pyrimidine

6-bromo-7-methyl-5-[1-(2-methylpropyl)piperidin-4-yl]-3-[6-[4-(trifluoromethoxy)phenyl]-3-pyridinyl]pyrazolo[1,5-a]pyrimidine (PubChem CID 91310397) has the molecular formula C28H29BrF3N5O and a molecular weight of 588.47 g/mol. Its IUPAC name is 6-bromo-7-methyl-5-[1-(2-methylpropyl)piperidin-4-yl]-3-[6-[4-(trifluoromethoxy)phenyl]-3-pyridinyl]pyrazolo[1,5-a]pyrimidine.

Molecular Properties

Compound Name6-bromo-7-methyl-5-[1-(2-methylpropyl)piperidin-4-yl]-3-[6-[4-(trifluoromethoxy)phenyl]-3-pyridinyl]pyrazolo[1,5-a]pyrimidine
PubChem CID91310397
Molecular FormulaC28H29BrF3N5O
Molecular Weight588.47 g/mol
Exact Mass587.15
IUPAC Name6-bromo-7-methyl-5-[1-(2-methylpropyl)piperidin-4-yl]-3-[6-[4-(trifluoromethoxy)phenyl]-3-pyridinyl]pyrazolo[1,5-a]pyrimidine
SMILESCc1c(Br)c(C2CCN(CC(C)C)CC2)nc2c(-c3ccc(-c4ccc(OC(F)(F)F)cc4)nc3)cnn12
InChIInChI=1S/C28H29BrF3N5O/c1-17(2)16-36-12-10-20(11-13-36)26-25(29)18(3)37-27(35-26)23(15-34-37)21-6-9-24(33-14-21)19-4-7-22(8-5-19)38-28(30,31)32/h4-9,14-15,17,20H,10-13,16H2,1-3H3
InChIKeyLDFRMRKDUHNKKR-UHFFFAOYSA-N
XLogP7.26
TPSA55.55 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds6
Heavy Atoms38
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500588.47
LogP ≤ 57.26
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

Analyze 6-bromo-7-methyl-5-[1-(2-methylpropyl)piperidin-4-yl]-3-[6-[4-(trifluoromethoxy)phenyl]-3-pyridinyl]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

Dorsomorphin
CID 11524144
4-[2-[4-(3-Pyridin-4-ylpyrazolo[1,5-a]pyrimidin-6-yl)phenoxy]ethyl]morpholine
CID 5329453
3-(6-{4-[2-(Piperidin-1-yl)ethoxy]phenyl}pyrazolo[1,5-a]pyrimidin-3-yl)pyridine
CID 5329452
6-(4-Methoxyphenyl)-3-pyridin-4-ylpyrazolo[1,5-a]pyrimidine
CID 5329457
6-(4-Methoxyphenyl)-3-(pyridin-3-yl)pyrazolo[1,5-a]pyrimidine
CID 5329458
Pyrazolo[1,5-b]pyridazine deriv. 69
CID 6539411
Pyrazolo[1,5-b]pyridazine deriv. 70
CID 6539412
Methyl substituted pyrazole, 28
CID 23648676
4-[6-(4-Methoxyphenyl)pyrazolo[1,5-a]pyrimidin-3-yl]quinoline
CID 44223357
(2S)-1-[2-(difluoromethyl)-4-pyrazolo[1,5-a]pyrimidin-7-ylphenoxy]-2,4-dimethylpentan-2-amine
CID 135284803
6-[[5-Bromo-6-(difluoromethoxy)-2-pyridinyl]methyl]-5-methyl-[1,2,4]triazolo[1,5-a]pyrimidin-7-amine
CID 139376873
7-(4-Methoxyphenyl)[1,2,4]triazolo[1,5-a]pyrimidine
CID 4773323

Frequently Asked Questions

What is the IUPAC name of 6-bromo-7-methyl-5-[1-(2-methylpropyl)piperidin-4-yl]-3-[6-[4-(trifluoromethoxy)phenyl]-3-pyridinyl]pyrazolo[1,5-a]pyrimidine?
The IUPAC name of 6-bromo-7-methyl-5-[1-(2-methylpropyl)piperidin-4-yl]-3-[6-[4-(trifluoromethoxy)phenyl]-3-pyridinyl]pyrazolo[1,5-a]pyrimidine (CID 91310397) is 6-bromo-7-methyl-5-[1-(2-methylpropyl)piperidin-4-yl]-3-[6-[4-(trifluoromethoxy)phenyl]-3-pyridinyl]pyrazolo[1,5-a]pyrimidine.
What is the SMILES notation for 6-bromo-7-methyl-5-[1-(2-methylpropyl)piperidin-4-yl]-3-[6-[4-(trifluoromethoxy)phenyl]-3-pyridinyl]pyrazolo[1,5-a]pyrimidine?
The canonical SMILES for 6-bromo-7-methyl-5-[1-(2-methylpropyl)piperidin-4-yl]-3-[6-[4-(trifluoromethoxy)phenyl]-3-pyridinyl]pyrazolo[1,5-a]pyrimidine is Cc1c(Br)c(C2CCN(CC(C)C)CC2)nc2c(-c3ccc(-c4ccc(OC(F)(F)F)cc4)nc3)cnn12.
What is the InChIKey of 6-bromo-7-methyl-5-[1-(2-methylpropyl)piperidin-4-yl]-3-[6-[4-(trifluoromethoxy)phenyl]-3-pyridinyl]pyrazolo[1,5-a]pyrimidine?
The InChIKey is LDFRMRKDUHNKKR-UHFFFAOYSA-N. The full InChI is InChI=1S/C28H29BrF3N5O/c1-17(2)16-36-12-10-20(11-13-36)26-25(29)18(3)37-27(35-26)23(15-34-37)21-6-9-24(33-14-21)19-4-7-22(8-5-19)38-28(30,31)32/h4-9,14-15,17,20H,10-13,16H2,1-3H3.
What are the key properties of 6-bromo-7-methyl-5-[1-(2-methylpropyl)piperidin-4-yl]-3-[6-[4-(trifluoromethoxy)phenyl]-3-pyridinyl]pyrazolo[1,5-a]pyrimidine?
6-bromo-7-methyl-5-[1-(2-methylpropyl)piperidin-4-yl]-3-[6-[4-(trifluoromethoxy)phenyl]-3-pyridinyl]pyrazolo[1,5-a]pyrimidine has a molecular weight of 588.47 g/mol, XLogP of 7.26, 6 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 6-bromo-7-methyl-5-[1-(2-methylpropyl)piperidin-4-yl]-3-[6-[4-(trifluoromethoxy)phenyl]-3-pyridinyl]pyrazolo[1,5-a]pyrimidine is sourced from PubChem (CID 91310397), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).