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

C25H22ClFN6O2 — CID 143313080

IUPACN-[1-[6-[(3-chloro-4-pyridinyl)methyl]-5-(4-fluorophenyl)pyrazin-2-yl]piperidin-4-yl]-1,2-oxazole-5-carboxamide
SMILESO=C(NC1CCN(c2cnc(-c3ccc(F)cc3)c(Cc3ccncc3Cl)n2)CC1)c1ccno1
InChIInChI=1S/C25H22ClFN6O2/c26-20-14-28-9-5-17(20)13-21-24(16-1-3-18(27)4-2-16)29-15-23(32-21)33-11-7-19(8-12-33)31-25(34)22-6-10-30-35-22/h1-6,9-10,14-15,19H,7-8,11-13H2,(H,31,34)
InChIKeyQCZWWPHPDRZTAI-UHFFFAOYSA-N
MW492.94 g/mol
LogP4.31
Rot. Bonds6

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

N-[1-[6-[(3-chloro-4-pyridinyl)methyl]-5-(4-fluorophenyl)pyrazin-2-yl]piperidin-4-yl]-1,2-oxazole-5-carboxamide (PubChem CID 143313080) has the molecular formula C25H22ClFN6O2 and a molecular weight of 492.94 g/mol. Its IUPAC name is N-[1-[6-[(3-chloro-4-pyridinyl)methyl]-5-(4-fluorophenyl)pyrazin-2-yl]piperidin-4-yl]-1,2-oxazole-5-carboxamide.

Molecular Properties

Compound NameN-[1-[6-[(3-chloro-4-pyridinyl)methyl]-5-(4-fluorophenyl)pyrazin-2-yl]piperidin-4-yl]-1,2-oxazole-5-carboxamide
PubChem CID143313080
Molecular FormulaC25H22ClFN6O2
Molecular Weight492.94 g/mol
Exact Mass492.15
IUPAC NameN-[1-[6-[(3-chloro-4-pyridinyl)methyl]-5-(4-fluorophenyl)pyrazin-2-yl]piperidin-4-yl]-1,2-oxazole-5-carboxamide
SMILESO=C(NC1CCN(c2cnc(-c3ccc(F)cc3)c(Cc3ccncc3Cl)n2)CC1)c1ccno1
InChIInChI=1S/C25H22ClFN6O2/c26-20-14-28-9-5-17(20)13-21-24(16-1-3-18(27)4-2-16)29-15-23(32-21)33-11-7-19(8-12-33)31-25(34)22-6-10-30-35-22/h1-6,9-10,14-15,19H,7-8,11-13H2,(H,31,34)
InChIKeyQCZWWPHPDRZTAI-UHFFFAOYSA-N
XLogP4.31
TPSA97.04 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds6
Heavy Atoms35
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500492.94
LogP ≤ 54.31
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)methyl]-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)methyl]-5-(4-fluorophenyl)pyrazin-2-yl]piperidin-4-yl]-1,2-oxazole-5-carboxamide (CID 143313080) is N-[1-[6-[(3-chloro-4-pyridinyl)methyl]-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)methyl]-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)methyl]-5-(4-fluorophenyl)pyrazin-2-yl]piperidin-4-yl]-1,2-oxazole-5-carboxamide is O=C(NC1CCN(c2cnc(-c3ccc(F)cc3)c(Cc3ccncc3Cl)n2)CC1)c1ccno1.
What is the InChIKey of N-[1-[6-[(3-chloro-4-pyridinyl)methyl]-5-(4-fluorophenyl)pyrazin-2-yl]piperidin-4-yl]-1,2-oxazole-5-carboxamide?
The InChIKey is QCZWWPHPDRZTAI-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H22ClFN6O2/c26-20-14-28-9-5-17(20)13-21-24(16-1-3-18(27)4-2-16)29-15-23(32-21)33-11-7-19(8-12-33)31-25(34)22-6-10-30-35-22/h1-6,9-10,14-15,19H,7-8,11-13H2,(H,31,34).
What are the key properties of N-[1-[6-[(3-chloro-4-pyridinyl)methyl]-5-(4-fluorophenyl)pyrazin-2-yl]piperidin-4-yl]-1,2-oxazole-5-carboxamide?
N-[1-[6-[(3-chloro-4-pyridinyl)methyl]-5-(4-fluorophenyl)pyrazin-2-yl]piperidin-4-yl]-1,2-oxazole-5-carboxamide has a molecular weight of 492.94 g/mol, XLogP of 4.31, 6 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)methyl]-5-(4-fluorophenyl)pyrazin-2-yl]piperidin-4-yl]-1,2-oxazole-5-carboxamide is sourced from PubChem (CID 143313080), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).