N-[1-[2,2-difluoro-2-[4-(trifluoromethyl)phenyl]ethyl]piperidin-4-yl]-1H-pyrazolo[4,5-c]pyridin-4-amine

C20H20F5N5 — CID 69328804

IUPACN-[1-[2,2-difluoro-2-[4-(trifluoromethyl)phenyl]ethyl]piperidin-4-yl]-1H-pyrazolo[4,5-c]pyridin-4-amine
SMILESFC(F)(F)c1ccc(C(F)(F)CN2CCC(Nc3nccc4[nH]ncc34)CC2)cc1
InChIInChI=1S/C20H20F5N5/c21-19(22,13-1-3-14(4-2-13)20(23,24)25)12-30-9-6-15(7-10-30)28-18-16-11-27-29-17(16)5-8-26-18/h1-5,8,11,15H,6-7,9-10,12H2,(H,26,28)(H,27,29)
InChIKeyLURNJFQODJJRQK-UHFFFAOYSA-N
MW425.41 g/mol
LogP4.64
Rot. Bonds5

About N-[1-[2,2-difluoro-2-[4-(trifluoromethyl)phenyl]ethyl]piperidin-4-yl]-1H-pyrazolo[4,5-c]pyridin-4-amine

N-[1-[2,2-difluoro-2-[4-(trifluoromethyl)phenyl]ethyl]piperidin-4-yl]-1H-pyrazolo[4,5-c]pyridin-4-amine (PubChem CID 69328804) has the molecular formula C20H20F5N5 and a molecular weight of 425.41 g/mol. Its IUPAC name is N-[1-[2,2-difluoro-2-[4-(trifluoromethyl)phenyl]ethyl]piperidin-4-yl]-1H-pyrazolo[4,5-c]pyridin-4-amine.

Molecular Properties

Compound NameN-[1-[2,2-difluoro-2-[4-(trifluoromethyl)phenyl]ethyl]piperidin-4-yl]-1H-pyrazolo[4,5-c]pyridin-4-amine
PubChem CID69328804
Molecular FormulaC20H20F5N5
Molecular Weight425.41 g/mol
Exact Mass425.16
IUPAC NameN-[1-[2,2-difluoro-2-[4-(trifluoromethyl)phenyl]ethyl]piperidin-4-yl]-1H-pyrazolo[4,5-c]pyridin-4-amine
SMILESFC(F)(F)c1ccc(C(F)(F)CN2CCC(Nc3nccc4[nH]ncc34)CC2)cc1
InChIInChI=1S/C20H20F5N5/c21-19(22,13-1-3-14(4-2-13)20(23,24)25)12-30-9-6-15(7-10-30)28-18-16-11-27-29-17(16)5-8-26-18/h1-5,8,11,15H,6-7,9-10,12H2,(H,26,28)(H,27,29)
InChIKeyLURNJFQODJJRQK-UHFFFAOYSA-N
XLogP4.64
TPSA56.84 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500425.41
LogP ≤ 54.64
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

N-[1-[2-(4-bromophenyl)-2,2-difluoroethyl]piperidin-4-yl]-1H-pyrazolo[5,4-d]pyrimidin-4-amine
CID 11959515
N-cyclohexyl-3-[4-(trifluoromethyl)phenyl]-1H-pyrazolo[4,3-c]pyridin-4-amine
CID 46912838
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-[1-[2,2-difluoro-2-(4-fluoro-3-methylphenyl)ethyl]piperidin-4-yl]-7H-pyrrolo[2,3-d]pyrimidin-4-amine
CID 162571015
N-[1-[2,2-difluoro-2-[6-[(methylidene-λ3-iodanyl)methyl]-3-pyridinyl]ethyl]piperidin-4-yl]-7H-pyrrolo[2,3-d]pyrimidin-4-amine
CID 162575237
N-[(3S,4S)-3-fluoro-1-[2-[4-(trifluoromethyl)phenyl]ethyl]piperidin-4-yl]-1H-pyrazolo[5,4-d]pyrimidin-4-amine
CID 11959650
N-[1-[3-[4-(4-tert-butylanilino)piperidin-1-yl]propyl]piperidin-4-yl]-2-(trifluoromethyl)pyridin-4-amine
CID 91015942
N-[1-(2,2,2-trifluoroethyl)piperidin-4-yl]-1H-indazol-7-amine
CID 43788150
N-[(3S)-1-(2,2,2-trifluoroethyl)pyrrolidin-3-yl]-1H-indazole-4-carboxamide
CID 94821910
1-[2,2-difluoro-2-(4-fluorophenyl)ethyl]piperidin-4-amine
CID 118938536
3-[[1-[5-(trifluoromethyl)-2-pyridinyl]piperidin-4-yl]amino]pyrazine-2-carbonitrile
CID 133283191
N-[1-(2-methoxyethyl)piperidin-4-yl]-7-(trifluoromethyl)quinolin-4-amine
CID 133404980

Frequently Asked Questions

What is the IUPAC name of N-[1-[2,2-difluoro-2-[4-(trifluoromethyl)phenyl]ethyl]piperidin-4-yl]-1H-pyrazolo[4,5-c]pyridin-4-amine?
The IUPAC name of N-[1-[2,2-difluoro-2-[4-(trifluoromethyl)phenyl]ethyl]piperidin-4-yl]-1H-pyrazolo[4,5-c]pyridin-4-amine (CID 69328804) is N-[1-[2,2-difluoro-2-[4-(trifluoromethyl)phenyl]ethyl]piperidin-4-yl]-1H-pyrazolo[4,5-c]pyridin-4-amine.
What is the SMILES notation for N-[1-[2,2-difluoro-2-[4-(trifluoromethyl)phenyl]ethyl]piperidin-4-yl]-1H-pyrazolo[4,5-c]pyridin-4-amine?
The canonical SMILES for N-[1-[2,2-difluoro-2-[4-(trifluoromethyl)phenyl]ethyl]piperidin-4-yl]-1H-pyrazolo[4,5-c]pyridin-4-amine is FC(F)(F)c1ccc(C(F)(F)CN2CCC(Nc3nccc4[nH]ncc34)CC2)cc1.
What is the InChIKey of N-[1-[2,2-difluoro-2-[4-(trifluoromethyl)phenyl]ethyl]piperidin-4-yl]-1H-pyrazolo[4,5-c]pyridin-4-amine?
The InChIKey is LURNJFQODJJRQK-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H20F5N5/c21-19(22,13-1-3-14(4-2-13)20(23,24)25)12-30-9-6-15(7-10-30)28-18-16-11-27-29-17(16)5-8-26-18/h1-5,8,11,15H,6-7,9-10,12H2,(H,26,28)(H,27,29).
What are the key properties of N-[1-[2,2-difluoro-2-[4-(trifluoromethyl)phenyl]ethyl]piperidin-4-yl]-1H-pyrazolo[4,5-c]pyridin-4-amine?
N-[1-[2,2-difluoro-2-[4-(trifluoromethyl)phenyl]ethyl]piperidin-4-yl]-1H-pyrazolo[4,5-c]pyridin-4-amine has a molecular weight of 425.41 g/mol, XLogP of 4.64, 5 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[1-[2,2-difluoro-2-[4-(trifluoromethyl)phenyl]ethyl]piperidin-4-yl]-1H-pyrazolo[4,5-c]pyridin-4-amine is sourced from PubChem (CID 69328804), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).