N-[1-[6-(3-fluoro-4-pyridinyl)-5-[4-(trifluoromethyl)phenyl]pyrazin-2-yl]piperidin-4-yl]propanamide

C24H23F4N5O — CID 71200155

IUPACN-[1-[6-(3-fluoro-4-pyridinyl)-5-[4-(trifluoromethyl)phenyl]pyrazin-2-yl]piperidin-4-yl]propanamide
SMILESCCC(=O)NC1CCN(c2cnc(-c3ccc(C(F)(F)F)cc3)c(-c3ccncc3F)n2)CC1
InChIInChI=1S/C24H23F4N5O/c1-2-21(34)31-17-8-11-33(12-9-17)20-14-30-22(15-3-5-16(6-4-15)24(26,27)28)23(32-20)18-7-10-29-13-19(18)25/h3-7,10,13-14,17H,2,8-9,11-12H2,1H3,(H,31,34)
InChIKeyKZYXJHDXHCCTQI-UHFFFAOYSA-N
MW473.47 g/mol
LogP4.86
Rot. Bonds5

About N-[1-[6-(3-fluoro-4-pyridinyl)-5-[4-(trifluoromethyl)phenyl]pyrazin-2-yl]piperidin-4-yl]propanamide

N-[1-[6-(3-fluoro-4-pyridinyl)-5-[4-(trifluoromethyl)phenyl]pyrazin-2-yl]piperidin-4-yl]propanamide (PubChem CID 71200155) has the molecular formula C24H23F4N5O and a molecular weight of 473.47 g/mol. Its IUPAC name is N-[1-[6-(3-fluoro-4-pyridinyl)-5-[4-(trifluoromethyl)phenyl]pyrazin-2-yl]piperidin-4-yl]propanamide.

Molecular Properties

Compound NameN-[1-[6-(3-fluoro-4-pyridinyl)-5-[4-(trifluoromethyl)phenyl]pyrazin-2-yl]piperidin-4-yl]propanamide
PubChem CID71200155
Molecular FormulaC24H23F4N5O
Molecular Weight473.47 g/mol
Exact Mass473.18
IUPAC NameN-[1-[6-(3-fluoro-4-pyridinyl)-5-[4-(trifluoromethyl)phenyl]pyrazin-2-yl]piperidin-4-yl]propanamide
SMILESCCC(=O)NC1CCN(c2cnc(-c3ccc(C(F)(F)F)cc3)c(-c3ccncc3F)n2)CC1
InChIInChI=1S/C24H23F4N5O/c1-2-21(34)31-17-8-11-33(12-9-17)20-14-30-22(15-3-5-16(6-4-15)24(26,27)28)23(32-20)18-7-10-29-13-19(18)25/h3-7,10,13-14,17H,2,8-9,11-12H2,1H3,(H,31,34)
InChIKeyKZYXJHDXHCCTQI-UHFFFAOYSA-N
XLogP4.86
TPSA71.01 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms34
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500473.47
LogP ≤ 54.86
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

N-[1-[6-(3-chloro-4-pyridinyl)-5-[4-(trifluoromethyl)phenyl]pyrazin-2-yl]piperidin-4-yl]-2-methylpropanamide
CID 24857903
(2R)-3-chloro-N-[1-[6-(3-chloro-4-pyridinyl)-5-[4-(trifluoromethyl)phenyl]pyrazin-2-yl]piperidin-4-yl]-2-methylbutanamide
CID 143313549
N-[1-[6-(3-chloro-4-pyridinyl)-5-(4-fluorophenyl)pyrazin-2-yl]piperidin-4-yl]-3-methoxypropanamide
CID 71199918
N-[1-[5,6-bis(4-fluorophenyl)pyrazin-2-yl]piperidin-4-yl]-3-methoxypropanamide
CID 71200295
1-[4-[6-(3-chloro-4-pyridinyl)-5-[4-(trifluoromethyl)phenyl]pyrazin-2-yl]piperazin-1-yl]-2-ethoxyethanone
CID 143313745
N-[1-[6-(3-chloro-4-pyridinyl)-5-(4-methoxy-2-methylphenyl)pyrazin-2-yl]piperidin-4-yl]propanamide
CID 143312981
N-[1-[5-(3-chloro-4-pyridinyl)-6-[4-(trifluoromethyl)phenyl]pyridazin-3-yl]piperidin-4-yl]-2-methylpropanamide
CID 71200381
3-(3-chloro-4-pyridinyl)-5-(4,4-difluoropiperidin-1-yl)-2-[4-(trifluoromethyl)phenyl]pyrazine
CID 89365417
N-[1-[pyrazin-2-yl-[4-(trifluoromethyl)phenyl]methyl]piperidin-4-yl]propanamide
CID 56661985
N-[1-[6-(3-chloro-4-pyridinyl)-5-[2-fluoro-4-(trifluoromethyl)phenyl]pyrazin-2-yl]azetidin-3-yl]-2-methylpropanamide
CID 143313715
(2R)-1-[[1-[6-(3-chloro-4-pyridinyl)-5-(4-fluorophenyl)pyrazin-2-yl]piperidin-4-yl]amino]-3-methoxypropan-2-ol
CID 143313142
ethyl N-[2-oxo-2-[[1-[5-(trifluoromethyl)-2-pyridinyl]piperidin-4-yl]amino]ethyl]carbamate
CID 47070407

Frequently Asked Questions

What is the IUPAC name of N-[1-[6-(3-fluoro-4-pyridinyl)-5-[4-(trifluoromethyl)phenyl]pyrazin-2-yl]piperidin-4-yl]propanamide?
The IUPAC name of N-[1-[6-(3-fluoro-4-pyridinyl)-5-[4-(trifluoromethyl)phenyl]pyrazin-2-yl]piperidin-4-yl]propanamide (CID 71200155) is N-[1-[6-(3-fluoro-4-pyridinyl)-5-[4-(trifluoromethyl)phenyl]pyrazin-2-yl]piperidin-4-yl]propanamide.
What is the SMILES notation for N-[1-[6-(3-fluoro-4-pyridinyl)-5-[4-(trifluoromethyl)phenyl]pyrazin-2-yl]piperidin-4-yl]propanamide?
The canonical SMILES for N-[1-[6-(3-fluoro-4-pyridinyl)-5-[4-(trifluoromethyl)phenyl]pyrazin-2-yl]piperidin-4-yl]propanamide is CCC(=O)NC1CCN(c2cnc(-c3ccc(C(F)(F)F)cc3)c(-c3ccncc3F)n2)CC1.
What is the InChIKey of N-[1-[6-(3-fluoro-4-pyridinyl)-5-[4-(trifluoromethyl)phenyl]pyrazin-2-yl]piperidin-4-yl]propanamide?
The InChIKey is KZYXJHDXHCCTQI-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H23F4N5O/c1-2-21(34)31-17-8-11-33(12-9-17)20-14-30-22(15-3-5-16(6-4-15)24(26,27)28)23(32-20)18-7-10-29-13-19(18)25/h3-7,10,13-14,17H,2,8-9,11-12H2,1H3,(H,31,34).
What are the key properties of N-[1-[6-(3-fluoro-4-pyridinyl)-5-[4-(trifluoromethyl)phenyl]pyrazin-2-yl]piperidin-4-yl]propanamide?
N-[1-[6-(3-fluoro-4-pyridinyl)-5-[4-(trifluoromethyl)phenyl]pyrazin-2-yl]piperidin-4-yl]propanamide has a molecular weight of 473.47 g/mol, XLogP of 4.86, 5 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[1-[6-(3-fluoro-4-pyridinyl)-5-[4-(trifluoromethyl)phenyl]pyrazin-2-yl]piperidin-4-yl]propanamide is sourced from PubChem (CID 71200155), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).