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

C26H26FN5O2 — CID 138586289

IUPACN-[6-(5-fluoro-3-pyridinyl)isoquinolin-3-yl]-2-(1-propan-2-ylpiperidin-4-yl)-1,3-oxazole-4-carboxamide
SMILESCC(C)N1CCC(c2nc(C(=O)Nc3cc4cc(-c5cncc(F)c5)ccc4cn3)co2)CC1
InChIInChI=1S/C26H26FN5O2/c1-16(2)32-7-5-17(6-8-32)26-30-23(15-34-26)25(33)31-24-11-20-9-18(3-4-19(20)13-29-24)21-10-22(27)14-28-12-21/h3-4,9-17H,5-8H2,1-2H3,(H,29,31,33)
InChIKeyWPDBUKDIJIHXRU-UHFFFAOYSA-N
MW459.53 g/mol
LogP5.26
Rot. Bonds5

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

N-[6-(5-fluoro-3-pyridinyl)isoquinolin-3-yl]-2-(1-propan-2-ylpiperidin-4-yl)-1,3-oxazole-4-carboxamide (PubChem CID 138586289) has the molecular formula C26H26FN5O2 and a molecular weight of 459.53 g/mol. Its IUPAC name is N-[6-(5-fluoro-3-pyridinyl)isoquinolin-3-yl]-2-(1-propan-2-ylpiperidin-4-yl)-1,3-oxazole-4-carboxamide.

Molecular Properties

Compound NameN-[6-(5-fluoro-3-pyridinyl)isoquinolin-3-yl]-2-(1-propan-2-ylpiperidin-4-yl)-1,3-oxazole-4-carboxamide
PubChem CID138586289
Molecular FormulaC26H26FN5O2
Molecular Weight459.53 g/mol
Exact Mass459.21
IUPAC NameN-[6-(5-fluoro-3-pyridinyl)isoquinolin-3-yl]-2-(1-propan-2-ylpiperidin-4-yl)-1,3-oxazole-4-carboxamide
SMILESCC(C)N1CCC(c2nc(C(=O)Nc3cc4cc(-c5cncc(F)c5)ccc4cn3)co2)CC1
InChIInChI=1S/C26H26FN5O2/c1-16(2)32-7-5-17(6-8-32)26-30-23(15-34-26)25(33)31-24-11-20-9-18(3-4-19(20)13-29-24)21-10-22(27)14-28-12-21/h3-4,9-17H,5-8H2,1-2H3,(H,29,31,33)
InChIKeyWPDBUKDIJIHXRU-UHFFFAOYSA-N
XLogP5.26
TPSA84.15 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms34
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500459.53
LogP ≤ 55.26
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of N-[6-(5-fluoro-3-pyridinyl)isoquinolin-3-yl]-2-(1-propan-2-ylpiperidin-4-yl)-1,3-oxazole-4-carboxamide?
The IUPAC name of N-[6-(5-fluoro-3-pyridinyl)isoquinolin-3-yl]-2-(1-propan-2-ylpiperidin-4-yl)-1,3-oxazole-4-carboxamide (CID 138586289) is N-[6-(5-fluoro-3-pyridinyl)isoquinolin-3-yl]-2-(1-propan-2-ylpiperidin-4-yl)-1,3-oxazole-4-carboxamide.
What is the SMILES notation for N-[6-(5-fluoro-3-pyridinyl)isoquinolin-3-yl]-2-(1-propan-2-ylpiperidin-4-yl)-1,3-oxazole-4-carboxamide?
The canonical SMILES for N-[6-(5-fluoro-3-pyridinyl)isoquinolin-3-yl]-2-(1-propan-2-ylpiperidin-4-yl)-1,3-oxazole-4-carboxamide is CC(C)N1CCC(c2nc(C(=O)Nc3cc4cc(-c5cncc(F)c5)ccc4cn3)co2)CC1.
What is the InChIKey of N-[6-(5-fluoro-3-pyridinyl)isoquinolin-3-yl]-2-(1-propan-2-ylpiperidin-4-yl)-1,3-oxazole-4-carboxamide?
The InChIKey is WPDBUKDIJIHXRU-UHFFFAOYSA-N. The full InChI is InChI=1S/C26H26FN5O2/c1-16(2)32-7-5-17(6-8-32)26-30-23(15-34-26)25(33)31-24-11-20-9-18(3-4-19(20)13-29-24)21-10-22(27)14-28-12-21/h3-4,9-17H,5-8H2,1-2H3,(H,29,31,33).
What are the key properties of N-[6-(5-fluoro-3-pyridinyl)isoquinolin-3-yl]-2-(1-propan-2-ylpiperidin-4-yl)-1,3-oxazole-4-carboxamide?
N-[6-(5-fluoro-3-pyridinyl)isoquinolin-3-yl]-2-(1-propan-2-ylpiperidin-4-yl)-1,3-oxazole-4-carboxamide has a molecular weight of 459.53 g/mol, XLogP of 5.26, 5 rotatable bonds, 1 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-(1-propan-2-ylpiperidin-4-yl)-1,3-oxazole-4-carboxamide is sourced from PubChem (CID 138586289), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).