(3S)-1-[3-[2-(2,6-difluorophenyl)imidazol-1-yl]-4-pyridinyl]piperidin-3-amine

C19H19F2N5 — CID 141361205

IUPAC(3S)-1-[3-[2-(2,6-difluorophenyl)imidazol-1-yl]-4-pyridinyl]piperidin-3-amine
SMILESN[C@H]1CCCN(c2ccncc2-n2ccnc2-c2c(F)cccc2F)C1
InChIInChI=1S/C19H19F2N5/c20-14-4-1-5-15(21)18(14)19-24-8-10-26(19)17-11-23-7-6-16(17)25-9-2-3-13(22)12-25/h1,4-8,10-11,13H,2-3,9,12,22H2/t13-/m0/s1
InChIKeyZESWUYFOXORVNA-ZDUSSCGKSA-N
MW355.39 g/mol
LogP3.14
Rot. Bonds3

About (3S)-1-[3-[2-(2,6-difluorophenyl)imidazol-1-yl]-4-pyridinyl]piperidin-3-amine

(3S)-1-[3-[2-(2,6-difluorophenyl)imidazol-1-yl]-4-pyridinyl]piperidin-3-amine (PubChem CID 141361205) has the molecular formula C19H19F2N5 and a molecular weight of 355.39 g/mol. Its IUPAC name is (3S)-1-[3-[2-(2,6-difluorophenyl)imidazol-1-yl]-4-pyridinyl]piperidin-3-amine.

Molecular Properties

Compound Name(3S)-1-[3-[2-(2,6-difluorophenyl)imidazol-1-yl]-4-pyridinyl]piperidin-3-amine
PubChem CID141361205
Molecular FormulaC19H19F2N5
Molecular Weight355.39 g/mol
Exact Mass355.16
IUPAC Name(3S)-1-[3-[2-(2,6-difluorophenyl)imidazol-1-yl]-4-pyridinyl]piperidin-3-amine
SMILESN[C@H]1CCCN(c2ccncc2-n2ccnc2-c2c(F)cccc2F)C1
InChIInChI=1S/C19H19F2N5/c20-14-4-1-5-15(21)18(14)19-24-8-10-26(19)17-11-23-7-6-16(17)25-9-2-3-13(22)12-25/h1,4-8,10-11,13H,2-3,9,12,22H2/t13-/m0/s1
InChIKeyZESWUYFOXORVNA-ZDUSSCGKSA-N
XLogP3.14
TPSA59.97 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500355.39
LogP ≤ 53.14
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Analyze (3S)-1-[3-[2-(2,6-difluorophenyl)imidazol-1-yl]-4-pyridinyl]piperidin-3-amine with MolForge

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Related Compounds

1-[4-(3-aminopiperidin-1-yl)-3-pyridinyl]-7-(2,6-difluorophenyl)-2H-quinolin-3-amine
CID 90281556
(3S)-1-[5-(2-phenylimidazol-1-yl)pyrimidin-4-yl]piperidin-3-amine
CID 175126573
N-[4-[(3R)-3-aminopiperidin-1-yl]-3-pyridinyl]-3-(2,6-difluorophenyl)-2-fluorobenzamide
CID 170647838
1-[3-amino-6-(2,6-difluorophenyl)-2-pyridinyl]-2-[4-[(3S)-3-aminopiperidin-1-yl]-3-pyridinyl]ethanone
CID 147319320
3-(3-aminopiperidin-1-yl)-N-methylpyridin-4-amine
CID 145468600
5-amino-N-[4-(3-aminopiperidin-1-yl)-3-pyridinyl]-2-(2,6-difluorophenyl)-1,3-thiazole-4-carboxamide
CID 67499805
1-(2-methyl-3-pyridinyl)piperidin-3-amine
CID 79043598
(3S)-1-pyrazin-2-ylpiperidin-3-amine
CID 86277059
1-(4-fluoro-2-methylphenyl)piperidin-3-amine
CID 54594111
N-[4-[(3S)-3-aminopyrrolidin-1-yl]-3-pyridinyl]-3-(2,6-difluorophenyl)-2-fluorobenzamide
CID 170647601
2-[4-[(3S)-3-aminopiperidin-1-yl]-3-pyridinyl]-1-[2-(2-fluorophenyl)-1,3-thiazol-4-yl]ethanone
CID 147999209
2-[3-amino-2-[2-[4-[(3S)-3-aminopiperidin-1-yl]-3-pyridinyl]acetyl]quinolin-7-yl]-3-fluorobenzamide
CID 161025500

Frequently Asked Questions

What is the IUPAC name of (3S)-1-[3-[2-(2,6-difluorophenyl)imidazol-1-yl]-4-pyridinyl]piperidin-3-amine?
The IUPAC name of (3S)-1-[3-[2-(2,6-difluorophenyl)imidazol-1-yl]-4-pyridinyl]piperidin-3-amine (CID 141361205) is (3S)-1-[3-[2-(2,6-difluorophenyl)imidazol-1-yl]-4-pyridinyl]piperidin-3-amine.
What is the SMILES notation for (3S)-1-[3-[2-(2,6-difluorophenyl)imidazol-1-yl]-4-pyridinyl]piperidin-3-amine?
The canonical SMILES for (3S)-1-[3-[2-(2,6-difluorophenyl)imidazol-1-yl]-4-pyridinyl]piperidin-3-amine is N[C@H]1CCCN(c2ccncc2-n2ccnc2-c2c(F)cccc2F)C1.
What is the InChIKey of (3S)-1-[3-[2-(2,6-difluorophenyl)imidazol-1-yl]-4-pyridinyl]piperidin-3-amine?
The InChIKey is ZESWUYFOXORVNA-ZDUSSCGKSA-N. The full InChI is InChI=1S/C19H19F2N5/c20-14-4-1-5-15(21)18(14)19-24-8-10-26(19)17-11-23-7-6-16(17)25-9-2-3-13(22)12-25/h1,4-8,10-11,13H,2-3,9,12,22H2/t13-/m0/s1.
What are the key properties of (3S)-1-[3-[2-(2,6-difluorophenyl)imidazol-1-yl]-4-pyridinyl]piperidin-3-amine?
(3S)-1-[3-[2-(2,6-difluorophenyl)imidazol-1-yl]-4-pyridinyl]piperidin-3-amine has a molecular weight of 355.39 g/mol, XLogP of 3.14, 3 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for (3S)-1-[3-[2-(2,6-difluorophenyl)imidazol-1-yl]-4-pyridinyl]piperidin-3-amine is sourced from PubChem (CID 141361205), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).