N-[(3S,4S)-3-fluoro-1-[2-[4-(trifluoromethyl)phenyl]ethyl]piperidin-4-yl]-1H-pyrazolo[5,4-d]pyrimidin-4-amine

C19H20F4N6 — CID 11959650

IUPACN-[(3S,4S)-3-fluoro-1-[2-[4-(trifluoromethyl)phenyl]ethyl]piperidin-4-yl]-1H-pyrazolo[5,4-d]pyrimidin-4-amine
SMILESF[C@H]1CN(CCc2ccc(C(F)(F)F)cc2)CC[C@@H]1Nc1ncnc2[nH]ncc12
InChIInChI=1S/C19H20F4N6/c20-15-10-29(7-5-12-1-3-13(4-2-12)19(21,22)23)8-6-16(15)27-17-14-9-26-28-18(14)25-11-24-17/h1-4,9,11,15-16H,5-8,10H2,(H2,24,25,26,27,28)/t15-,16-/m0/s1
InChIKeyHBXVHDKOZFHLME-HOTGVXAUSA-N
MW408.40 g/mol
LogP3.44
Rot. Bonds5

About N-[(3S,4S)-3-fluoro-1-[2-[4-(trifluoromethyl)phenyl]ethyl]piperidin-4-yl]-1H-pyrazolo[5,4-d]pyrimidin-4-amine

N-[(3S,4S)-3-fluoro-1-[2-[4-(trifluoromethyl)phenyl]ethyl]piperidin-4-yl]-1H-pyrazolo[5,4-d]pyrimidin-4-amine (PubChem CID 11959650) has the molecular formula C19H20F4N6 and a molecular weight of 408.40 g/mol. Its IUPAC name is N-[(3S,4S)-3-fluoro-1-[2-[4-(trifluoromethyl)phenyl]ethyl]piperidin-4-yl]-1H-pyrazolo[5,4-d]pyrimidin-4-amine.

Molecular Properties

Compound NameN-[(3S,4S)-3-fluoro-1-[2-[4-(trifluoromethyl)phenyl]ethyl]piperidin-4-yl]-1H-pyrazolo[5,4-d]pyrimidin-4-amine
PubChem CID11959650
Molecular FormulaC19H20F4N6
Molecular Weight408.40 g/mol
Exact Mass408.17
IUPAC NameN-[(3S,4S)-3-fluoro-1-[2-[4-(trifluoromethyl)phenyl]ethyl]piperidin-4-yl]-1H-pyrazolo[5,4-d]pyrimidin-4-amine
SMILESF[C@H]1CN(CCc2ccc(C(F)(F)F)cc2)CC[C@@H]1Nc1ncnc2[nH]ncc12
InChIInChI=1S/C19H20F4N6/c20-15-10-29(7-5-12-1-3-13(4-2-12)19(21,22)23)8-6-16(15)27-17-14-9-26-28-18(14)25-11-24-17/h1-4,9,11,15-16H,5-8,10H2,(H2,24,25,26,27,28)/t15-,16-/m0/s1
InChIKeyHBXVHDKOZFHLME-HOTGVXAUSA-N
XLogP3.44
TPSA69.73 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500408.40
LogP ≤ 53.44
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

Analyze N-[(3S,4S)-3-fluoro-1-[2-[4-(trifluoromethyl)phenyl]ethyl]piperidin-4-yl]-1H-pyrazolo[5,4-d]pyrimidin-4-amine 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

N-[(3S,4S)-1-[2-[4-(difluoromethyl)phenyl]-2,2-difluoroethyl]-3-fluoropiperidin-4-yl]-1H-pyrazolo[5,4-d]pyrimidin-4-amine
CID 11959649
N-[3,3-difluoro-1-[2-[4-(fluoromethyl)phenyl]ethyl]piperidin-4-yl]-1H-pyrazolo[5,4-d]pyrimidin-4-amine
CID 122445184
N-[[4-(trifluoromethyl)phenyl]methyl]-1H-pyrazolo[5,4-d]pyrimidin-4-amine
CID 16627006
N-[(3aS,4S,6aS)-2-(2-phenylethyl)-3,3a,4,5,6,6a-hexahydro-1H-cyclopenta[c]pyrrol-4-yl]-1H-pyrazolo[5,4-d]pyrimidin-4-amine
CID 90819143
N-[1-[2-(4-bromophenyl)-2,2-difluoroethyl]piperidin-4-yl]-1H-pyrazolo[5,4-d]pyrimidin-4-amine
CID 11959515
N-[1-[2,2-difluoro-2-[4-(trifluoromethyl)phenyl]ethyl]piperidin-4-yl]-1H-pyrazolo[4,5-c]pyridin-4-amine
CID 69328804
N-[3,3-difluoro-1-[2-(4-methylphenyl)ethyl]piperidin-4-yl]-N-methyl-1H-pyrazolo[5,4-d]pyrimidin-4-amine
CID 134215405
N-(3-fluorocyclopentyl)-1H-pyrazolo[5,4-d]pyrimidin-4-amine;2-(4-methylphenyl)ethanol
CID 143007954
N-[(1R,3R,4R)-3-fluoro-4-[2-(4-methylphenyl)ethoxy]cyclopentyl]-1H-pyrazolo[5,4-d]pyrimidin-4-amine
CID 11667549
N-[(1S,3S)-3-[2-(4-fluorophenyl)ethoxy]cyclopentyl]-1H-pyrazolo[5,4-d]pyrimidin-4-amine
CID 11544663
3,3-difluoro-N-methyl-1-[2-[4-(trifluoromethyl)phenyl]ethyl]piperidin-4-amine
CID 122445265
1-(1H-pyrazolo[5,4-d]pyrimidin-4-ylamino)-3-[4-(trifluoromethyl)phenoxy]propan-2-ol
CID 133273633

Frequently Asked Questions

What is the IUPAC name of N-[(3S,4S)-3-fluoro-1-[2-[4-(trifluoromethyl)phenyl]ethyl]piperidin-4-yl]-1H-pyrazolo[5,4-d]pyrimidin-4-amine?
The IUPAC name of N-[(3S,4S)-3-fluoro-1-[2-[4-(trifluoromethyl)phenyl]ethyl]piperidin-4-yl]-1H-pyrazolo[5,4-d]pyrimidin-4-amine (CID 11959650) is N-[(3S,4S)-3-fluoro-1-[2-[4-(trifluoromethyl)phenyl]ethyl]piperidin-4-yl]-1H-pyrazolo[5,4-d]pyrimidin-4-amine.
What is the SMILES notation for N-[(3S,4S)-3-fluoro-1-[2-[4-(trifluoromethyl)phenyl]ethyl]piperidin-4-yl]-1H-pyrazolo[5,4-d]pyrimidin-4-amine?
The canonical SMILES for N-[(3S,4S)-3-fluoro-1-[2-[4-(trifluoromethyl)phenyl]ethyl]piperidin-4-yl]-1H-pyrazolo[5,4-d]pyrimidin-4-amine is F[C@H]1CN(CCc2ccc(C(F)(F)F)cc2)CC[C@@H]1Nc1ncnc2[nH]ncc12.
What is the InChIKey of N-[(3S,4S)-3-fluoro-1-[2-[4-(trifluoromethyl)phenyl]ethyl]piperidin-4-yl]-1H-pyrazolo[5,4-d]pyrimidin-4-amine?
The InChIKey is HBXVHDKOZFHLME-HOTGVXAUSA-N. The full InChI is InChI=1S/C19H20F4N6/c20-15-10-29(7-5-12-1-3-13(4-2-12)19(21,22)23)8-6-16(15)27-17-14-9-26-28-18(14)25-11-24-17/h1-4,9,11,15-16H,5-8,10H2,(H2,24,25,26,27,28)/t15-,16-/m0/s1.
What are the key properties of N-[(3S,4S)-3-fluoro-1-[2-[4-(trifluoromethyl)phenyl]ethyl]piperidin-4-yl]-1H-pyrazolo[5,4-d]pyrimidin-4-amine?
N-[(3S,4S)-3-fluoro-1-[2-[4-(trifluoromethyl)phenyl]ethyl]piperidin-4-yl]-1H-pyrazolo[5,4-d]pyrimidin-4-amine has a molecular weight of 408.40 g/mol, XLogP of 3.44, 5 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(3S,4S)-3-fluoro-1-[2-[4-(trifluoromethyl)phenyl]ethyl]piperidin-4-yl]-1H-pyrazolo[5,4-d]pyrimidin-4-amine is sourced from PubChem (CID 11959650), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).