N-[5-(2,4-difluorophenoxy)pyrazin-2-yl]-2-[(3S)-4,4-difluoro-3-pyridin-4-ylpiperidin-1-yl]propanamide

C23H21F4N5O2 — CID 174230836

IUPACN-[5-(2,4-difluorophenoxy)pyrazin-2-yl]-2-[(3S)-4,4-difluoro-3-pyridin-4-ylpiperidin-1-yl]propanamide
SMILESCC(C(=O)Nc1cnc(Oc2ccc(F)cc2F)cn1)N1CCC(F)(F)[C@@H](c2ccncc2)C1
InChIInChI=1S/C23H21F4N5O2/c1-14(32-9-6-23(26,27)17(13-32)15-4-7-28-8-5-15)22(33)31-20-11-30-21(12-29-20)34-19-3-2-16(24)10-18(19)25/h2-5,7-8,10-12,14,17H,6,9,13H2,1H3,(H,29,31,33)/t14?,17-/m1/s1
InChIKeyYOFHQPQDKWYJHU-FBMWCMRBSA-N
MW475.45 g/mol
LogP4.39
Rot. Bonds6

About N-[5-(2,4-difluorophenoxy)pyrazin-2-yl]-2-[(3S)-4,4-difluoro-3-pyridin-4-ylpiperidin-1-yl]propanamide

N-[5-(2,4-difluorophenoxy)pyrazin-2-yl]-2-[(3S)-4,4-difluoro-3-pyridin-4-ylpiperidin-1-yl]propanamide (PubChem CID 174230836) has the molecular formula C23H21F4N5O2 and a molecular weight of 475.45 g/mol. Its IUPAC name is N-[5-(2,4-difluorophenoxy)pyrazin-2-yl]-2-[(3S)-4,4-difluoro-3-pyridin-4-ylpiperidin-1-yl]propanamide.

Molecular Properties

Compound NameN-[5-(2,4-difluorophenoxy)pyrazin-2-yl]-2-[(3S)-4,4-difluoro-3-pyridin-4-ylpiperidin-1-yl]propanamide
PubChem CID174230836
Molecular FormulaC23H21F4N5O2
Molecular Weight475.45 g/mol
Exact Mass475.16
IUPAC NameN-[5-(2,4-difluorophenoxy)pyrazin-2-yl]-2-[(3S)-4,4-difluoro-3-pyridin-4-ylpiperidin-1-yl]propanamide
SMILESCC(C(=O)Nc1cnc(Oc2ccc(F)cc2F)cn1)N1CCC(F)(F)[C@@H](c2ccncc2)C1
InChIInChI=1S/C23H21F4N5O2/c1-14(32-9-6-23(26,27)17(13-32)15-4-7-28-8-5-15)22(33)31-20-11-30-21(12-29-20)34-19-3-2-16(24)10-18(19)25/h2-5,7-8,10-12,14,17H,6,9,13H2,1H3,(H,29,31,33)/t14?,17-/m1/s1
InChIKeyYOFHQPQDKWYJHU-FBMWCMRBSA-N
XLogP4.39
TPSA80.24 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds6
Heavy Atoms34
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500475.45
LogP ≤ 54.39
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Related Compounds

bis((2S)-2-[(3S)-4,4-difluoro-3-(1-oxidopyridin-1-ium-4-yl)piperidin-1-yl]-N-[5-(2,4-difluorophenoxy)pyrazin-2-yl]propanamide);dihydrochloride
CID 165054488
N-[5-(2,6-difluorophenoxy)pyrazin-2-yl]-2-[(3S)-4,4-difluoro-3-pyridin-4-ylpiperidin-1-yl]propanamide
CID 174231045
2-[(3S)-4,4-difluoro-3-(1-oxidopyridin-1-ium-4-yl)piperidin-1-yl]-N-[5-(2,3,4-trifluorophenoxy)pyrazin-2-yl]propanamide
CID 174231024
(2S)-2-[(3S)-4,4-difluoro-3-(1-oxidopyridin-1-ium-4-yl)piperidin-1-yl]-N-[5-(2,4-difluorophenoxy)-2-pyridinyl]propanamide
CID 164734840
(2S)-2-[(3S)-4,4-difluoro-3-pyridin-4-ylpiperidin-1-yl]-N-[5-(2,4,5-trifluorophenoxy)-2-pyridinyl]propanamide
CID 174231180
2-[(3S)-4,4-difluoro-3-pyridin-4-ylpiperidin-1-yl]-N-[5-[4-fluoro-2-(hydroxymethyl)phenoxy]-2-pyridinyl]propanamide
CID 175468311
4-[(3S)-1-[(2S)-1-[[5-(2,4-difluorophenoxy)-2-pyridinyl]amino]-1-oxopropan-2-yl]-4,4-difluoropiperidin-3-yl]pyridine-2-carboxamide
CID 164734918
2-[4,4-difluoro-3-[5-(morpholin-4-ylmethyl)-6-oxo-1H-pyridin-3-yl]piperidin-1-yl]-N-[5-(2,4-difluorophenoxy)pyrazin-2-yl]propanamide
CID 174230924
(E)-[(2E)-3-[1-[1-[[5-(2,4-difluorophenoxy)pyrazin-2-yl]amino]-1-oxopropan-2-yl]-4,4-difluoropiperidin-3-yl]penta-2,4-dienylidene]-methoxyazanium
CID 163237748
2-[4,4-difluoro-3-[5-(methylaminomethyl)-6-oxo-1H-pyridin-3-yl]piperidin-1-yl]-N-[5-(2,4-difluorophenoxy)-2-pyridinyl]propanamide
CID 174230826
(2S)-2-[(3S)-4,4-difluoro-3-(6-oxo-1H-pyridin-3-yl)piperidin-1-yl]-N-[5-[2-[(dimethylamino)methyl]-4-fluorophenoxy]-2-pyridinyl]propanamide
CID 163238304
2-[4,4-difluoro-3-(6-oxo-1H-pyridin-3-yl)piperidin-1-yl]-N-[5-[2-[(dimethylamino)methyl]-4-fluorophenoxy]-2-pyridinyl]propanamide
CID 174230928

Frequently Asked Questions

What is the IUPAC name of N-[5-(2,4-difluorophenoxy)pyrazin-2-yl]-2-[(3S)-4,4-difluoro-3-pyridin-4-ylpiperidin-1-yl]propanamide?
The IUPAC name of N-[5-(2,4-difluorophenoxy)pyrazin-2-yl]-2-[(3S)-4,4-difluoro-3-pyridin-4-ylpiperidin-1-yl]propanamide (CID 174230836) is N-[5-(2,4-difluorophenoxy)pyrazin-2-yl]-2-[(3S)-4,4-difluoro-3-pyridin-4-ylpiperidin-1-yl]propanamide.
What is the SMILES notation for N-[5-(2,4-difluorophenoxy)pyrazin-2-yl]-2-[(3S)-4,4-difluoro-3-pyridin-4-ylpiperidin-1-yl]propanamide?
The canonical SMILES for N-[5-(2,4-difluorophenoxy)pyrazin-2-yl]-2-[(3S)-4,4-difluoro-3-pyridin-4-ylpiperidin-1-yl]propanamide is CC(C(=O)Nc1cnc(Oc2ccc(F)cc2F)cn1)N1CCC(F)(F)[C@@H](c2ccncc2)C1.
What is the InChIKey of N-[5-(2,4-difluorophenoxy)pyrazin-2-yl]-2-[(3S)-4,4-difluoro-3-pyridin-4-ylpiperidin-1-yl]propanamide?
The InChIKey is YOFHQPQDKWYJHU-FBMWCMRBSA-N. The full InChI is InChI=1S/C23H21F4N5O2/c1-14(32-9-6-23(26,27)17(13-32)15-4-7-28-8-5-15)22(33)31-20-11-30-21(12-29-20)34-19-3-2-16(24)10-18(19)25/h2-5,7-8,10-12,14,17H,6,9,13H2,1H3,(H,29,31,33)/t14?,17-/m1/s1.
What are the key properties of N-[5-(2,4-difluorophenoxy)pyrazin-2-yl]-2-[(3S)-4,4-difluoro-3-pyridin-4-ylpiperidin-1-yl]propanamide?
N-[5-(2,4-difluorophenoxy)pyrazin-2-yl]-2-[(3S)-4,4-difluoro-3-pyridin-4-ylpiperidin-1-yl]propanamide has a molecular weight of 475.45 g/mol, XLogP of 4.39, 6 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-[5-(2,4-difluorophenoxy)pyrazin-2-yl]-2-[(3S)-4,4-difluoro-3-pyridin-4-ylpiperidin-1-yl]propanamide is sourced from PubChem (CID 174230836), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).