7-(3-azabicyclo[4.1.0]heptan-1-yl)-3-fluoro-5-methyl-2-[4-(trifluoromethyl)cyclohexyl]pyrazolo[1,5-a]pyrimidine

C20H24F4N4 — CID 162724119

IUPAC7-(3-azabicyclo[4.1.0]heptan-1-yl)-3-fluoro-5-methyl-2-[4-(trifluoromethyl)cyclohexyl]pyrazolo[1,5-a]pyrimidine
SMILESCc1cc(C23CNCCC2C3)n2nc(C3CCC(C(F)(F)F)CC3)c(F)c2n1
InChIInChI=1S/C20H24F4N4/c1-11-8-15(19-9-14(19)6-7-25-10-19)28-18(26-11)16(21)17(27-28)12-2-4-13(5-3-12)20(22,23)24/h8,12-14,25H,2-7,9-10H2,1H3
InChIKeyKNMIUNADJIBHKU-UHFFFAOYSA-N
MW396.43 g/mol
LogP4.26
Rot. Bonds2

About 7-(3-azabicyclo[4.1.0]heptan-1-yl)-3-fluoro-5-methyl-2-[4-(trifluoromethyl)cyclohexyl]pyrazolo[1,5-a]pyrimidine

7-(3-azabicyclo[4.1.0]heptan-1-yl)-3-fluoro-5-methyl-2-[4-(trifluoromethyl)cyclohexyl]pyrazolo[1,5-a]pyrimidine (PubChem CID 162724119) has the molecular formula C20H24F4N4 and a molecular weight of 396.43 g/mol. Its IUPAC name is 7-(3-azabicyclo[4.1.0]heptan-1-yl)-3-fluoro-5-methyl-2-[4-(trifluoromethyl)cyclohexyl]pyrazolo[1,5-a]pyrimidine.

Molecular Properties

Compound Name7-(3-azabicyclo[4.1.0]heptan-1-yl)-3-fluoro-5-methyl-2-[4-(trifluoromethyl)cyclohexyl]pyrazolo[1,5-a]pyrimidine
PubChem CID162724119
Molecular FormulaC20H24F4N4
Molecular Weight396.43 g/mol
Exact Mass396.19
IUPAC Name7-(3-azabicyclo[4.1.0]heptan-1-yl)-3-fluoro-5-methyl-2-[4-(trifluoromethyl)cyclohexyl]pyrazolo[1,5-a]pyrimidine
SMILESCc1cc(C23CNCCC2C3)n2nc(C3CCC(C(F)(F)F)CC3)c(F)c2n1
InChIInChI=1S/C20H24F4N4/c1-11-8-15(19-9-14(19)6-7-25-10-19)28-18(26-11)16(21)17(27-28)12-2-4-13(5-3-12)20(22,23)24/h8,12-14,25H,2-7,9-10H2,1H3
InChIKeyKNMIUNADJIBHKU-UHFFFAOYSA-N
XLogP4.26
TPSA42.22 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500396.43
LogP ≤ 54.26
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Analyze 7-(3-azabicyclo[4.1.0]heptan-1-yl)-3-fluoro-5-methyl-2-[4-(trifluoromethyl)cyclohexyl]pyrazolo[1,5-a]pyrimidine with MolForge

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Related Compounds

3-fluoro-5-methyl-7-[(3R)-piperidin-3-yl]-2-[4-(trifluoromethyl)cyclohexyl]pyrazolo[1,5-a]pyrimidine
CID 169049625
(3S,4S)-3-[3-fluoro-5-methyl-2-[4-(trifluoromethyl)cyclohexyl]pyrazolo[1,5-a]pyrimidin-7-yl]-N,N,4-trimethylpiperidine-1-carboxamide
CID 162723935
tert-butyl (3S)-3-[3-fluoro-5-methyl-2-[4-(trifluoromethyl)cyclohexyl]pyrazolo[1,5-a]pyrimidin-7-yl]piperidine-1-carboxylate
CID 162724017
5,6-dimethyl-7-[(3S,4S)-4-methylpiperidin-3-yl]-2-[4-(trifluoromethyl)cyclohexyl]pyrazolo[1,5-a]pyrimidine
CID 162724005
6-ethyl-5-methyl-7-[(3R)-piperidin-3-yl]-2-[4-(trifluoromethyl)cyclohexyl]pyrazolo[1,5-a]pyrimidine
CID 169049592
(1R,6S)-1-(3,4-dichlorophenyl)-3-azabicyclo[4.1.0]heptane
CID 24849583
6-ethyl-5-methyl-7-[(3S,4S)-4-methylpiperidin-3-yl]-2-[4-(trifluoromethyl)cyclohexyl]pyrazolo[1,5-a]pyrimidine
CID 169049578
4-[chloro(difluoro)methyl]-3-cyclopropyl-1,6-dimethylpyrazolo[3,4-b]pyridine
CID 19586191
5-[5,6-dimethyl-2-[4-(trifluoromethyl)cyclohexyl]pyrazolo[1,5-a]pyrimidin-7-yl]-3,3-difluoropiperidine-1-carbaldehyde
CID 162723992
1-methyl-3-[5-methyl-2-[4-(trifluoromethyl)cyclohexyl]pyrazolo[1,5-a]pyrimidin-7-yl]piperidin-2-one
CID 169049529
4-[(2,5-dimethylpyrazol-3-yl)sulfinyl-difluoromethyl]piperidine
CID 145127495
2,6-dimethyl-4-piperidin-4-ylpyridine
CID 82403777

Frequently Asked Questions

What is the IUPAC name of 7-(3-azabicyclo[4.1.0]heptan-1-yl)-3-fluoro-5-methyl-2-[4-(trifluoromethyl)cyclohexyl]pyrazolo[1,5-a]pyrimidine?
The IUPAC name of 7-(3-azabicyclo[4.1.0]heptan-1-yl)-3-fluoro-5-methyl-2-[4-(trifluoromethyl)cyclohexyl]pyrazolo[1,5-a]pyrimidine (CID 162724119) is 7-(3-azabicyclo[4.1.0]heptan-1-yl)-3-fluoro-5-methyl-2-[4-(trifluoromethyl)cyclohexyl]pyrazolo[1,5-a]pyrimidine.
What is the SMILES notation for 7-(3-azabicyclo[4.1.0]heptan-1-yl)-3-fluoro-5-methyl-2-[4-(trifluoromethyl)cyclohexyl]pyrazolo[1,5-a]pyrimidine?
The canonical SMILES for 7-(3-azabicyclo[4.1.0]heptan-1-yl)-3-fluoro-5-methyl-2-[4-(trifluoromethyl)cyclohexyl]pyrazolo[1,5-a]pyrimidine is Cc1cc(C23CNCCC2C3)n2nc(C3CCC(C(F)(F)F)CC3)c(F)c2n1.
What is the InChIKey of 7-(3-azabicyclo[4.1.0]heptan-1-yl)-3-fluoro-5-methyl-2-[4-(trifluoromethyl)cyclohexyl]pyrazolo[1,5-a]pyrimidine?
The InChIKey is KNMIUNADJIBHKU-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H24F4N4/c1-11-8-15(19-9-14(19)6-7-25-10-19)28-18(26-11)16(21)17(27-28)12-2-4-13(5-3-12)20(22,23)24/h8,12-14,25H,2-7,9-10H2,1H3.
What are the key properties of 7-(3-azabicyclo[4.1.0]heptan-1-yl)-3-fluoro-5-methyl-2-[4-(trifluoromethyl)cyclohexyl]pyrazolo[1,5-a]pyrimidine?
7-(3-azabicyclo[4.1.0]heptan-1-yl)-3-fluoro-5-methyl-2-[4-(trifluoromethyl)cyclohexyl]pyrazolo[1,5-a]pyrimidine has a molecular weight of 396.43 g/mol, XLogP of 4.26, 2 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 7-(3-azabicyclo[4.1.0]heptan-1-yl)-3-fluoro-5-methyl-2-[4-(trifluoromethyl)cyclohexyl]pyrazolo[1,5-a]pyrimidine is sourced from PubChem (CID 162724119), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).