N-[1-[6-(3-chloro-4-pyridinyl)-5-(4-fluorophenyl)pyrazin-2-yl]piperidin-4-yl]-3-methoxypropanamide

C24H25ClFN5O2 — CID 71199918

IUPACN-[1-[6-(3-chloro-4-pyridinyl)-5-(4-fluorophenyl)pyrazin-2-yl]piperidin-4-yl]-3-methoxypropanamide
SMILESCOCCC(=O)NC1CCN(c2cnc(-c3ccc(F)cc3)c(-c3ccncc3Cl)n2)CC1
InChIInChI=1S/C24H25ClFN5O2/c1-33-13-9-22(32)29-18-7-11-31(12-8-18)21-15-28-23(16-2-4-17(26)5-3-16)24(30-21)19-6-10-27-14-20(19)25/h2-6,10,14-15,18H,7-9,11-13H2,1H3,(H,29,32)
InChIKeyJCPCJTSIEYUKLB-UHFFFAOYSA-N
MW469.95 g/mol
LogP4.12
Rot. Bonds7

About N-[1-[6-(3-chloro-4-pyridinyl)-5-(4-fluorophenyl)pyrazin-2-yl]piperidin-4-yl]-3-methoxypropanamide

N-[1-[6-(3-chloro-4-pyridinyl)-5-(4-fluorophenyl)pyrazin-2-yl]piperidin-4-yl]-3-methoxypropanamide (PubChem CID 71199918) has the molecular formula C24H25ClFN5O2 and a molecular weight of 469.95 g/mol. Its IUPAC name is N-[1-[6-(3-chloro-4-pyridinyl)-5-(4-fluorophenyl)pyrazin-2-yl]piperidin-4-yl]-3-methoxypropanamide.

Molecular Properties

Compound NameN-[1-[6-(3-chloro-4-pyridinyl)-5-(4-fluorophenyl)pyrazin-2-yl]piperidin-4-yl]-3-methoxypropanamide
PubChem CID71199918
Molecular FormulaC24H25ClFN5O2
Molecular Weight469.95 g/mol
Exact Mass469.17
IUPAC NameN-[1-[6-(3-chloro-4-pyridinyl)-5-(4-fluorophenyl)pyrazin-2-yl]piperidin-4-yl]-3-methoxypropanamide
SMILESCOCCC(=O)NC1CCN(c2cnc(-c3ccc(F)cc3)c(-c3ccncc3Cl)n2)CC1
InChIInChI=1S/C24H25ClFN5O2/c1-33-13-9-22(32)29-18-7-11-31(12-8-18)21-15-28-23(16-2-4-17(26)5-3-16)24(30-21)19-6-10-27-14-20(19)25/h2-6,10,14-15,18H,7-9,11-13H2,1H3,(H,29,32)
InChIKeyJCPCJTSIEYUKLB-UHFFFAOYSA-N
XLogP4.12
TPSA80.24 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds7
Heavy Atoms33
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500469.95
LogP ≤ 54.12
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Related Compounds

N-[1-[5,6-bis(4-fluorophenyl)pyrazin-2-yl]piperidin-4-yl]-3-methoxypropanamide
CID 71200295
(2R)-1-[[1-[6-(3-chloro-4-pyridinyl)-5-(4-fluorophenyl)pyrazin-2-yl]piperidin-4-yl]amino]-3-methoxypropan-2-ol
CID 143313142
N-[1-[6-(3-chloro-4-pyridinyl)-5-[4-(trifluoromethyl)phenyl]pyrazin-2-yl]piperidin-4-yl]-2-methylpropanamide
CID 24857903
3-(3-chloro-4-pyridinyl)-2-(4-fluorophenyl)-5-(3-methoxypiperidin-1-yl)pyrazine
CID 143313116
(2R)-3-chloro-N-[1-[6-(3-chloro-4-pyridinyl)-5-[4-(trifluoromethyl)phenyl]pyrazin-2-yl]piperidin-4-yl]-2-methylbutanamide
CID 143313549
2-chloropropan-2-yl 4-[6-(3-chloro-4-pyridinyl)-5-(4-fluorophenyl)pyrazin-2-yl]piperazine-1-carboxylate
CID 143313654
N-[1-[6-(3-chloro-4-pyridinyl)-5-(4-methoxy-2-methylphenyl)pyrazin-2-yl]piperidin-4-yl]propanamide
CID 143312981
N-[1-[6-(3-fluoro-4-pyridinyl)-5-[4-(trifluoromethyl)phenyl]pyrazin-2-yl]piperidin-4-yl]propanamide
CID 71200155
2-amino-1-[4-[6-(3-chloro-4-pyridinyl)-5-(4-fluorophenyl)pyrazin-2-yl]piperazin-1-yl]butan-1-ol
CID 143313538
[4-[6-(3-chloro-4-pyridinyl)-5-(4-fluorophenyl)pyrazin-2-yl]piperazin-1-yl]-[2-(trifluoromethyl)pyrimidin-5-yl]methanone
CID 71200135
[1-[6-(3-chloro-4-pyridinyl)-5-(2,4-difluorophenyl)pyrazin-2-yl]piperidin-4-yl]methanol
CID 143313324
1-[4-[6-(3-chloro-4-pyridinyl)-5-[4-(trifluoromethyl)phenyl]pyrazin-2-yl]piperazin-1-yl]-2-ethoxyethanone
CID 143313745

Frequently Asked Questions

What is the IUPAC name of N-[1-[6-(3-chloro-4-pyridinyl)-5-(4-fluorophenyl)pyrazin-2-yl]piperidin-4-yl]-3-methoxypropanamide?
The IUPAC name of N-[1-[6-(3-chloro-4-pyridinyl)-5-(4-fluorophenyl)pyrazin-2-yl]piperidin-4-yl]-3-methoxypropanamide (CID 71199918) is N-[1-[6-(3-chloro-4-pyridinyl)-5-(4-fluorophenyl)pyrazin-2-yl]piperidin-4-yl]-3-methoxypropanamide.
What is the SMILES notation for N-[1-[6-(3-chloro-4-pyridinyl)-5-(4-fluorophenyl)pyrazin-2-yl]piperidin-4-yl]-3-methoxypropanamide?
The canonical SMILES for N-[1-[6-(3-chloro-4-pyridinyl)-5-(4-fluorophenyl)pyrazin-2-yl]piperidin-4-yl]-3-methoxypropanamide is COCCC(=O)NC1CCN(c2cnc(-c3ccc(F)cc3)c(-c3ccncc3Cl)n2)CC1.
What is the InChIKey of N-[1-[6-(3-chloro-4-pyridinyl)-5-(4-fluorophenyl)pyrazin-2-yl]piperidin-4-yl]-3-methoxypropanamide?
The InChIKey is JCPCJTSIEYUKLB-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H25ClFN5O2/c1-33-13-9-22(32)29-18-7-11-31(12-8-18)21-15-28-23(16-2-4-17(26)5-3-16)24(30-21)19-6-10-27-14-20(19)25/h2-6,10,14-15,18H,7-9,11-13H2,1H3,(H,29,32).
What are the key properties of N-[1-[6-(3-chloro-4-pyridinyl)-5-(4-fluorophenyl)pyrazin-2-yl]piperidin-4-yl]-3-methoxypropanamide?
N-[1-[6-(3-chloro-4-pyridinyl)-5-(4-fluorophenyl)pyrazin-2-yl]piperidin-4-yl]-3-methoxypropanamide has a molecular weight of 469.95 g/mol, XLogP of 4.12, 7 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-[1-[6-(3-chloro-4-pyridinyl)-5-(4-fluorophenyl)pyrazin-2-yl]piperidin-4-yl]-3-methoxypropanamide is sourced from PubChem (CID 71199918), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).