(3S)-N-[(5-fluoro-2-pyrazol-1-ylphenyl)methyl]-1-[5-(trifluoromethyl)-2-pyridinyl]piperidin-3-amine

C21H21F4N5 — CID 28730958

IUPAC(3S)-N-[(5-fluoro-2-pyrazol-1-ylphenyl)methyl]-1-[5-(trifluoromethyl)-2-pyridinyl]piperidin-3-amine
SMILESFc1ccc(-n2cccn2)c(CN[C@H]2CCCN(c3ccc(C(F)(F)F)cn3)C2)c1
InChIInChI=1S/C21H21F4N5/c22-17-5-6-19(30-10-2-8-28-30)15(11-17)12-26-18-3-1-9-29(14-18)20-7-4-16(13-27-20)21(23,24)25/h2,4-8,10-11,13,18,26H,1,3,9,12,14H2/t18-/m0/s1
InChIKeyIIXBCEDWBSCOIC-SFHVURJKSA-N
MW419.43 g/mol
LogP4.18
Rot. Bonds5

About (3S)-N-[(5-fluoro-2-pyrazol-1-ylphenyl)methyl]-1-[5-(trifluoromethyl)-2-pyridinyl]piperidin-3-amine

(3S)-N-[(5-fluoro-2-pyrazol-1-ylphenyl)methyl]-1-[5-(trifluoromethyl)-2-pyridinyl]piperidin-3-amine (PubChem CID 28730958) has the molecular formula C21H21F4N5 and a molecular weight of 419.43 g/mol. Its IUPAC name is (3S)-N-[(5-fluoro-2-pyrazol-1-ylphenyl)methyl]-1-[5-(trifluoromethyl)-2-pyridinyl]piperidin-3-amine.

Molecular Properties

Compound Name(3S)-N-[(5-fluoro-2-pyrazol-1-ylphenyl)methyl]-1-[5-(trifluoromethyl)-2-pyridinyl]piperidin-3-amine
PubChem CID28730958
Molecular FormulaC21H21F4N5
Molecular Weight419.43 g/mol
Exact Mass419.17
IUPAC Name(3S)-N-[(5-fluoro-2-pyrazol-1-ylphenyl)methyl]-1-[5-(trifluoromethyl)-2-pyridinyl]piperidin-3-amine
SMILESFc1ccc(-n2cccn2)c(CN[C@H]2CCCN(c3ccc(C(F)(F)F)cn3)C2)c1
InChIInChI=1S/C21H21F4N5/c22-17-5-6-19(30-10-2-8-28-30)15(11-17)12-26-18-3-1-9-29(14-18)20-7-4-16(13-27-20)21(23,24)25/h2,4-8,10-11,13,18,26H,1,3,9,12,14H2/t18-/m0/s1
InChIKeyIIXBCEDWBSCOIC-SFHVURJKSA-N
XLogP4.18
TPSA45.98 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500419.43
LogP ≤ 54.18
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Analyze (3S)-N-[(5-fluoro-2-pyrazol-1-ylphenyl)methyl]-1-[5-(trifluoromethyl)-2-pyridinyl]piperidin-3-amine with MolForge

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Related Compounds

(3R)-N-[(5-fluoro-2-pyrazol-1-ylphenyl)methyl]-1-pyrimidin-2-ylpiperidin-3-amine
CID 42196033
N-[[4-fluoro-2-(trifluoromethyl)phenyl]methyl]-1-[5-(trifluoromethyl)-2-pyridinyl]pyrrolidin-3-amine
CID 87635860
2-[2-[[[1-[5-(trifluoromethyl)-2-pyridinyl]piperidin-3-yl]amino]methyl]phenoxy]ethanol
CID 45244033
(3S)-1-(5-chloro-2-pyridinyl)-N-[[4-fluoro-2-(trifluoromethyl)phenyl]methyl]pyrrolidin-3-amine
CID 59860364
1-(5-bromo-2-pyridinyl)-N-[[4-fluoro-2-(trifluoromethyl)phenyl]methyl]pyrrolidin-3-amine;hydrochloride
CID 87635685
N-[1-[5-(trifluoromethyl)-2-pyridinyl]piperidin-3-yl]acetamide
CID 47282597
(3S)-N-[(2-chloro-4-fluorophenyl)methyl]-1-pyridazin-3-ylpiperidin-3-amine
CID 129375184
2-(3-pyrazol-1-ylpyrrolidin-1-yl)-5-(trifluoromethyl)pyridine
CID 126946416
2-pyrazol-1-yl-N-[1-[5-(trifluoromethyl)-2-pyridinyl]pyrrolidin-3-yl]acetamide
CID 121142764
(4R)-N-[(5-fluoro-2-pyrazol-1-ylphenyl)methyl]-1-pyridin-2-yl-4,5,6,7-tetrahydroindazol-4-amine
CID 42292954
1-(5-fluoro-2-pyrazol-1-ylphenyl)-N-methylmethanamine
CID 43314016
2-morpholin-4-yl-N-[1-[5-(trifluoromethyl)-2-pyridinyl]piperidin-3-yl]pyrimidin-4-amine
CID 172902099

Frequently Asked Questions

What is the IUPAC name of (3S)-N-[(5-fluoro-2-pyrazol-1-ylphenyl)methyl]-1-[5-(trifluoromethyl)-2-pyridinyl]piperidin-3-amine?
The IUPAC name of (3S)-N-[(5-fluoro-2-pyrazol-1-ylphenyl)methyl]-1-[5-(trifluoromethyl)-2-pyridinyl]piperidin-3-amine (CID 28730958) is (3S)-N-[(5-fluoro-2-pyrazol-1-ylphenyl)methyl]-1-[5-(trifluoromethyl)-2-pyridinyl]piperidin-3-amine.
What is the SMILES notation for (3S)-N-[(5-fluoro-2-pyrazol-1-ylphenyl)methyl]-1-[5-(trifluoromethyl)-2-pyridinyl]piperidin-3-amine?
The canonical SMILES for (3S)-N-[(5-fluoro-2-pyrazol-1-ylphenyl)methyl]-1-[5-(trifluoromethyl)-2-pyridinyl]piperidin-3-amine is Fc1ccc(-n2cccn2)c(CN[C@H]2CCCN(c3ccc(C(F)(F)F)cn3)C2)c1.
What is the InChIKey of (3S)-N-[(5-fluoro-2-pyrazol-1-ylphenyl)methyl]-1-[5-(trifluoromethyl)-2-pyridinyl]piperidin-3-amine?
The InChIKey is IIXBCEDWBSCOIC-SFHVURJKSA-N. The full InChI is InChI=1S/C21H21F4N5/c22-17-5-6-19(30-10-2-8-28-30)15(11-17)12-26-18-3-1-9-29(14-18)20-7-4-16(13-27-20)21(23,24)25/h2,4-8,10-11,13,18,26H,1,3,9,12,14H2/t18-/m0/s1.
What are the key properties of (3S)-N-[(5-fluoro-2-pyrazol-1-ylphenyl)methyl]-1-[5-(trifluoromethyl)-2-pyridinyl]piperidin-3-amine?
(3S)-N-[(5-fluoro-2-pyrazol-1-ylphenyl)methyl]-1-[5-(trifluoromethyl)-2-pyridinyl]piperidin-3-amine has a molecular weight of 419.43 g/mol, XLogP of 4.18, 5 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for (3S)-N-[(5-fluoro-2-pyrazol-1-ylphenyl)methyl]-1-[5-(trifluoromethyl)-2-pyridinyl]piperidin-3-amine is sourced from PubChem (CID 28730958), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).