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

C24H20ClFN6O2 — CID 71200168

IUPACN-[1-[6-(3-chloro-4-pyridinyl)-5-(4-fluorophenyl)pyrazin-2-yl]piperidin-4-yl]-1,2-oxazole-5-carboxamide
SMILESO=C(NC1CCN(c2cnc(-c3ccc(F)cc3)c(-c3ccncc3Cl)n2)CC1)c1ccno1
InChIInChI=1S/C24H20ClFN6O2/c25-19-13-27-9-5-18(19)23-22(15-1-3-16(26)4-2-15)28-14-21(31-23)32-11-7-17(8-12-32)30-24(33)20-6-10-29-34-20/h1-6,9-10,13-14,17H,7-8,11-12H2,(H,30,33)
InChIKeyJDKFXUQTIVSCRY-UHFFFAOYSA-N
MW478.92 g/mol
LogP4.38
Rot. Bonds5

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

N-[1-[6-(3-chloro-4-pyridinyl)-5-(4-fluorophenyl)pyrazin-2-yl]piperidin-4-yl]-1,2-oxazole-5-carboxamide (PubChem CID 71200168) has the molecular formula C24H20ClFN6O2 and a molecular weight of 478.92 g/mol. Its IUPAC name is N-[1-[6-(3-chloro-4-pyridinyl)-5-(4-fluorophenyl)pyrazin-2-yl]piperidin-4-yl]-1,2-oxazole-5-carboxamide.

Molecular Properties

Compound NameN-[1-[6-(3-chloro-4-pyridinyl)-5-(4-fluorophenyl)pyrazin-2-yl]piperidin-4-yl]-1,2-oxazole-5-carboxamide
PubChem CID71200168
Molecular FormulaC24H20ClFN6O2
Molecular Weight478.92 g/mol
Exact Mass478.13
IUPAC NameN-[1-[6-(3-chloro-4-pyridinyl)-5-(4-fluorophenyl)pyrazin-2-yl]piperidin-4-yl]-1,2-oxazole-5-carboxamide
SMILESO=C(NC1CCN(c2cnc(-c3ccc(F)cc3)c(-c3ccncc3Cl)n2)CC1)c1ccno1
InChIInChI=1S/C24H20ClFN6O2/c25-19-13-27-9-5-18(19)23-22(15-1-3-16(26)4-2-15)28-14-21(31-23)32-11-7-17(8-12-32)30-24(33)20-6-10-29-34-20/h1-6,9-10,13-14,17H,7-8,11-12H2,(H,30,33)
InChIKeyJDKFXUQTIVSCRY-UHFFFAOYSA-N
XLogP4.38
TPSA97.04 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds5
Heavy Atoms34
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500478.92
LogP ≤ 54.38
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

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Related Compounds

LON-WEI-babf2c61-11
CID 154856959
[4-[5-[2-(6-Amino-3-pyridinyl)ethynyl]-6-ethylpyrimidin-4-yl]-2-chloro-6-fluorophenyl]-[4-[(3-methyl-1,2-oxazol-5-yl)methyl]piperazin-1-yl]methanone
CID 58073073
(2S)-N-[6-[6-chloro-5-(trifluoromethyl)-3-pyridinyl]-2-pyridinyl]-2-[3-methyl-1-[(5-methyl-1,2-oxazol-3-yl)methyl]-2,6-dioxo-4,5-dihydropurin-7-yl]propanamide
CID 139269413
(2S)-N-[6-(5-chloro-6-methyl-3-pyridinyl)pyrazin-2-yl]-2-[3-methyl-1-[(5-methyl-1,2-oxazol-3-yl)methyl]-2,6-dioxo-4,5-dihydropurin-7-yl]propanamide
CID 139269428
N-[[5-[5-[(2-chloro-3,6-difluorophenyl)methyl]-6,7,8,9-tetrahydropyrazino[2,3-b]azepin-3-yl]-1,2-oxazol-3-yl]methyl]piperidin-4-amine
CID 58523752
1-[[5-chloro-6-[(3S)-4-[1-[(4-chloro-2-fluorophenyl)methyl]piperidin-4-yl]-3-ethylpiperazin-1-yl]-3-pyridinyl]methyl]-3-(3,5-dimethyl-1,2-oxazol-4-yl)-1-[(3,5-dimethyl-1,2-oxazol-4-yl)carbamoyl]urea
CID 59427500
1-[[5-chloro-6-[(3S)-4-[1-[(4-chloro-2-fluorophenyl)methyl]piperidin-4-yl]-3-ethylpiperazin-1-yl]-3-pyridinyl]methyl]-3-(3,5-dimethyl-1,2-oxazol-4-yl)urea
CID 59427526
N-[(2S)-1-[(6-amino-3-pyridinyl)methylamino]-3-(4-fluorophenyl)-1-oxopropan-2-yl]-1,2-oxazole-5-carboxamide
CID 67205583
2-[4-[[6-(3-fluorophenyl)pyridine-3-carbonyl]amino]piperidin-1-yl]-N-(5-methyl-1,2-oxazol-3-yl)pyridine-3-carboxamide
CID 67268332
[4-[5-(6-Amino-3-pyridinyl)-6-ethylpyrimidin-4-yl]-2-chloro-6-fluorophenyl]-[4-[(3-methyl-1,2-oxazol-5-yl)methyl]piperazin-1-yl]methanone
CID 68049484
N-[[5-[5-[(2-chloro-3,6-difluorophenyl)methyl]-6,7,8,9-tetrahydropyrazino[2,3-b][1,4]diazepin-3-yl]-1,2-oxazol-3-yl]methyl]piperidin-4-amine
CID 68199124
N-[1-[5,6-bis(4-fluorophenyl)pyrazin-2-yl]piperidin-4-yl]-1,2-oxazole-5-carboxamide
CID 71199858

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]-1,2-oxazole-5-carboxamide?
The IUPAC name of N-[1-[6-(3-chloro-4-pyridinyl)-5-(4-fluorophenyl)pyrazin-2-yl]piperidin-4-yl]-1,2-oxazole-5-carboxamide (CID 71200168) is N-[1-[6-(3-chloro-4-pyridinyl)-5-(4-fluorophenyl)pyrazin-2-yl]piperidin-4-yl]-1,2-oxazole-5-carboxamide.
What is the SMILES notation for N-[1-[6-(3-chloro-4-pyridinyl)-5-(4-fluorophenyl)pyrazin-2-yl]piperidin-4-yl]-1,2-oxazole-5-carboxamide?
The canonical SMILES for N-[1-[6-(3-chloro-4-pyridinyl)-5-(4-fluorophenyl)pyrazin-2-yl]piperidin-4-yl]-1,2-oxazole-5-carboxamide is O=C(NC1CCN(c2cnc(-c3ccc(F)cc3)c(-c3ccncc3Cl)n2)CC1)c1ccno1.
What is the InChIKey of N-[1-[6-(3-chloro-4-pyridinyl)-5-(4-fluorophenyl)pyrazin-2-yl]piperidin-4-yl]-1,2-oxazole-5-carboxamide?
The InChIKey is JDKFXUQTIVSCRY-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H20ClFN6O2/c25-19-13-27-9-5-18(19)23-22(15-1-3-16(26)4-2-15)28-14-21(31-23)32-11-7-17(8-12-32)30-24(33)20-6-10-29-34-20/h1-6,9-10,13-14,17H,7-8,11-12H2,(H,30,33).
What are the key properties of N-[1-[6-(3-chloro-4-pyridinyl)-5-(4-fluorophenyl)pyrazin-2-yl]piperidin-4-yl]-1,2-oxazole-5-carboxamide?
N-[1-[6-(3-chloro-4-pyridinyl)-5-(4-fluorophenyl)pyrazin-2-yl]piperidin-4-yl]-1,2-oxazole-5-carboxamide has a molecular weight of 478.92 g/mol, XLogP of 4.38, 5 rotatable bonds, 1 hydrogen bond donors, and 7 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]-1,2-oxazole-5-carboxamide is sourced from PubChem (CID 71200168), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).