N-[6-(5-fluoro-3-pyridinyl)isoquinolin-3-yl]-2-piperidin-4-yl-1,3-oxazole-4-carboxamide

C23H20FN5O2 — CID 138586401

IUPACN-[6-(5-fluoro-3-pyridinyl)isoquinolin-3-yl]-2-piperidin-4-yl-1,3-oxazole-4-carboxamide
SMILESO=C(Nc1cc2cc(-c3cncc(F)c3)ccc2cn1)c1coc(C2CCNCC2)n1
InChIInChI=1S/C23H20FN5O2/c24-19-8-18(10-26-12-19)15-1-2-16-11-27-21(9-17(16)7-15)29-22(30)20-13-31-23(28-20)14-3-5-25-6-4-14/h1-2,7-14,25H,3-6H2,(H,27,29,30)
InChIKeyCEHRPFWXYUQGFW-UHFFFAOYSA-N
MW417.44 g/mol
LogP4.14
Rot. Bonds4

About N-[6-(5-fluoro-3-pyridinyl)isoquinolin-3-yl]-2-piperidin-4-yl-1,3-oxazole-4-carboxamide

N-[6-(5-fluoro-3-pyridinyl)isoquinolin-3-yl]-2-piperidin-4-yl-1,3-oxazole-4-carboxamide (PubChem CID 138586401) has the molecular formula C23H20FN5O2 and a molecular weight of 417.44 g/mol. Its IUPAC name is N-[6-(5-fluoro-3-pyridinyl)isoquinolin-3-yl]-2-piperidin-4-yl-1,3-oxazole-4-carboxamide.

Molecular Properties

Compound NameN-[6-(5-fluoro-3-pyridinyl)isoquinolin-3-yl]-2-piperidin-4-yl-1,3-oxazole-4-carboxamide
PubChem CID138586401
Molecular FormulaC23H20FN5O2
Molecular Weight417.44 g/mol
Exact Mass417.16
IUPAC NameN-[6-(5-fluoro-3-pyridinyl)isoquinolin-3-yl]-2-piperidin-4-yl-1,3-oxazole-4-carboxamide
SMILESO=C(Nc1cc2cc(-c3cncc(F)c3)ccc2cn1)c1coc(C2CCNCC2)n1
InChIInChI=1S/C23H20FN5O2/c24-19-8-18(10-26-12-19)15-1-2-16-11-27-21(9-17(16)7-15)29-22(30)20-13-31-23(28-20)14-3-5-25-6-4-14/h1-2,7-14,25H,3-6H2,(H,27,29,30)
InChIKeyCEHRPFWXYUQGFW-UHFFFAOYSA-N
XLogP4.14
TPSA92.94 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms31
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500417.44
LogP ≤ 54.14
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

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Related Compounds

N-[6-(1-methylpyrazol-4-yl)isoquinolin-3-yl]-2-(1-propan-2-ylpiperidin-4-yl)-1,3-oxazole-4-carboxamide
CID 138585654
2-[1-(2-fluoroethyl)piperidin-4-yl]-N-[6-(1-methylpyrazol-4-yl)isoquinolin-3-yl]-1,3-oxazole-4-carboxamide
CID 138585706
N-[6-(5-fluoro-3-pyridinyl)isoquinolin-3-yl]-2-(1-methylpiperidin-4-yl)-1,3-oxazole-4-carboxamide
CID 138586354
N-[6-(5-fluoro-3-pyridinyl)isoquinolin-3-yl]-2-[2-(1-propan-2-ylpiperidin-4-yl)-1,3-oxazol-4-yl]acetamide
CID 155490002
2-(1-methylpiperidin-4-yl)-N-[6-(1-methyltriazol-4-yl)isoquinolin-3-yl]-1,3-oxazole-4-carboxamide
CID 138585585
2-(1-methylpiperidin-4-yl)-N-[6-(1-methylpyrazol-4-yl)isoquinolin-3-yl]-1,3-oxazole-4-carboxamide
CID 138585588
N-[6-(5-methyl-1,3,4-thiadiazol-2-yl)isoquinolin-3-yl]-2-piperidin-4-yl-1,3-oxazole-4-carboxamide
CID 138585605
N-[6-(1-methyltriazol-4-yl)isoquinolin-3-yl]-2-(1-propan-2-ylpiperidin-4-yl)-1,3-oxazole-4-carboxamide
CID 138585612
N-[6-(3-methylimidazol-4-yl)isoquinolin-3-yl]-2-propan-2-yl-1,3-oxazole-4-carboxamide
CID 138585619
2-methyl-N-[6-(3-methylimidazol-4-yl)isoquinolin-3-yl]-1,3-oxazole-4-carboxamide
CID 138585659
N-[6-(1-methylpyrazol-4-yl)isoquinolin-3-yl]-2-piperidin-4-yl-1,3-oxazole-4-carboxamide
CID 138585660
2-(4-methylpiperazin-1-yl)-N-[6-(1-methylpyrazol-4-yl)isoquinolin-3-yl]-1,3-oxazole-4-carboxamide
CID 138585667

Frequently Asked Questions

What is the IUPAC name of N-[6-(5-fluoro-3-pyridinyl)isoquinolin-3-yl]-2-piperidin-4-yl-1,3-oxazole-4-carboxamide?
The IUPAC name of N-[6-(5-fluoro-3-pyridinyl)isoquinolin-3-yl]-2-piperidin-4-yl-1,3-oxazole-4-carboxamide (CID 138586401) is N-[6-(5-fluoro-3-pyridinyl)isoquinolin-3-yl]-2-piperidin-4-yl-1,3-oxazole-4-carboxamide.
What is the SMILES notation for N-[6-(5-fluoro-3-pyridinyl)isoquinolin-3-yl]-2-piperidin-4-yl-1,3-oxazole-4-carboxamide?
The canonical SMILES for N-[6-(5-fluoro-3-pyridinyl)isoquinolin-3-yl]-2-piperidin-4-yl-1,3-oxazole-4-carboxamide is O=C(Nc1cc2cc(-c3cncc(F)c3)ccc2cn1)c1coc(C2CCNCC2)n1.
What is the InChIKey of N-[6-(5-fluoro-3-pyridinyl)isoquinolin-3-yl]-2-piperidin-4-yl-1,3-oxazole-4-carboxamide?
The InChIKey is CEHRPFWXYUQGFW-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H20FN5O2/c24-19-8-18(10-26-12-19)15-1-2-16-11-27-21(9-17(16)7-15)29-22(30)20-13-31-23(28-20)14-3-5-25-6-4-14/h1-2,7-14,25H,3-6H2,(H,27,29,30).
What are the key properties of N-[6-(5-fluoro-3-pyridinyl)isoquinolin-3-yl]-2-piperidin-4-yl-1,3-oxazole-4-carboxamide?
N-[6-(5-fluoro-3-pyridinyl)isoquinolin-3-yl]-2-piperidin-4-yl-1,3-oxazole-4-carboxamide has a molecular weight of 417.44 g/mol, XLogP of 4.14, 4 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-[6-(5-fluoro-3-pyridinyl)isoquinolin-3-yl]-2-piperidin-4-yl-1,3-oxazole-4-carboxamide is sourced from PubChem (CID 138586401), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).