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

C24H19ClF2N6O2 — CID 71200169

IUPACN-[1-[6-(3-chloro-4-pyridinyl)-5-(2,4-difluorophenyl)pyrazin-2-yl]piperidin-4-yl]-1,2-oxazole-5-carboxamide
SMILESO=C(NC1CCN(c2cnc(-c3ccc(F)cc3F)c(-c3ccncc3Cl)n2)CC1)c1ccno1
InChIInChI=1S/C24H19ClF2N6O2/c25-18-12-28-7-3-16(18)23-22(17-2-1-14(26)11-19(17)27)29-13-21(32-23)33-9-5-15(6-10-33)31-24(34)20-4-8-30-35-20/h1-4,7-8,11-13,15H,5-6,9-10H2,(H,31,34)
InChIKeyBWNFAJUEQMFMHM-UHFFFAOYSA-N
MW496.91 g/mol
LogP4.52
Rot. Bonds5

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

N-[1-[6-(3-chloro-4-pyridinyl)-5-(2,4-difluorophenyl)pyrazin-2-yl]piperidin-4-yl]-1,2-oxazole-5-carboxamide (PubChem CID 71200169) has the molecular formula C24H19ClF2N6O2 and a molecular weight of 496.91 g/mol. Its IUPAC name is N-[1-[6-(3-chloro-4-pyridinyl)-5-(2,4-difluorophenyl)pyrazin-2-yl]piperidin-4-yl]-1,2-oxazole-5-carboxamide.

Molecular Properties

Compound NameN-[1-[6-(3-chloro-4-pyridinyl)-5-(2,4-difluorophenyl)pyrazin-2-yl]piperidin-4-yl]-1,2-oxazole-5-carboxamide
PubChem CID71200169
Molecular FormulaC24H19ClF2N6O2
Molecular Weight496.91 g/mol
Exact Mass496.12
IUPAC NameN-[1-[6-(3-chloro-4-pyridinyl)-5-(2,4-difluorophenyl)pyrazin-2-yl]piperidin-4-yl]-1,2-oxazole-5-carboxamide
SMILESO=C(NC1CCN(c2cnc(-c3ccc(F)cc3F)c(-c3ccncc3Cl)n2)CC1)c1ccno1
InChIInChI=1S/C24H19ClF2N6O2/c25-18-12-28-7-3-16(18)23-22(17-2-1-14(26)11-19(17)27)29-13-21(32-23)33-9-5-15(6-10-33)31-24(34)20-4-8-30-35-20/h1-4,7-8,11-13,15H,5-6,9-10H2,(H,31,34)
InChIKeyBWNFAJUEQMFMHM-UHFFFAOYSA-N
XLogP4.52
TPSA97.04 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds5
Heavy Atoms35
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500496.91
LogP ≤ 54.52
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

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Frequently Asked Questions

What is the IUPAC name of N-[1-[6-(3-chloro-4-pyridinyl)-5-(2,4-difluorophenyl)pyrazin-2-yl]piperidin-4-yl]-1,2-oxazole-5-carboxamide?
The IUPAC name of N-[1-[6-(3-chloro-4-pyridinyl)-5-(2,4-difluorophenyl)pyrazin-2-yl]piperidin-4-yl]-1,2-oxazole-5-carboxamide (CID 71200169) is N-[1-[6-(3-chloro-4-pyridinyl)-5-(2,4-difluorophenyl)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-(2,4-difluorophenyl)pyrazin-2-yl]piperidin-4-yl]-1,2-oxazole-5-carboxamide?
The canonical SMILES for N-[1-[6-(3-chloro-4-pyridinyl)-5-(2,4-difluorophenyl)pyrazin-2-yl]piperidin-4-yl]-1,2-oxazole-5-carboxamide is O=C(NC1CCN(c2cnc(-c3ccc(F)cc3F)c(-c3ccncc3Cl)n2)CC1)c1ccno1.
What is the InChIKey of N-[1-[6-(3-chloro-4-pyridinyl)-5-(2,4-difluorophenyl)pyrazin-2-yl]piperidin-4-yl]-1,2-oxazole-5-carboxamide?
The InChIKey is BWNFAJUEQMFMHM-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H19ClF2N6O2/c25-18-12-28-7-3-16(18)23-22(17-2-1-14(26)11-19(17)27)29-13-21(32-23)33-9-5-15(6-10-33)31-24(34)20-4-8-30-35-20/h1-4,7-8,11-13,15H,5-6,9-10H2,(H,31,34).
What are the key properties of N-[1-[6-(3-chloro-4-pyridinyl)-5-(2,4-difluorophenyl)pyrazin-2-yl]piperidin-4-yl]-1,2-oxazole-5-carboxamide?
N-[1-[6-(3-chloro-4-pyridinyl)-5-(2,4-difluorophenyl)pyrazin-2-yl]piperidin-4-yl]-1,2-oxazole-5-carboxamide has a molecular weight of 496.91 g/mol, XLogP of 4.52, 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-(2,4-difluorophenyl)pyrazin-2-yl]piperidin-4-yl]-1,2-oxazole-5-carboxamide is sourced from PubChem (CID 71200169), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).