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

C24H22FN5O2 — CID 138586354

IUPACN-[6-(5-fluoro-3-pyridinyl)isoquinolin-3-yl]-2-(1-methylpiperidin-4-yl)-1,3-oxazole-4-carboxamide
SMILESCN1CCC(c2nc(C(=O)Nc3cc4cc(-c5cncc(F)c5)ccc4cn3)co2)CC1
InChIInChI=1S/C24H22FN5O2/c1-30-6-4-15(5-7-30)24-28-21(14-32-24)23(31)29-22-10-18-8-16(2-3-17(18)12-27-22)19-9-20(25)13-26-11-19/h2-3,8-15H,4-7H2,1H3,(H,27,29,31)
InChIKeyZMEFCYZKVPFXPP-UHFFFAOYSA-N
MW431.47 g/mol
LogP4.49
Rot. Bonds4

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

N-[6-(5-fluoro-3-pyridinyl)isoquinolin-3-yl]-2-(1-methylpiperidin-4-yl)-1,3-oxazole-4-carboxamide (PubChem CID 138586354) has the molecular formula C24H22FN5O2 and a molecular weight of 431.47 g/mol. Its IUPAC name is N-[6-(5-fluoro-3-pyridinyl)isoquinolin-3-yl]-2-(1-methylpiperidin-4-yl)-1,3-oxazole-4-carboxamide.

Molecular Properties

Compound NameN-[6-(5-fluoro-3-pyridinyl)isoquinolin-3-yl]-2-(1-methylpiperidin-4-yl)-1,3-oxazole-4-carboxamide
PubChem CID138586354
Molecular FormulaC24H22FN5O2
Molecular Weight431.47 g/mol
Exact Mass431.18
IUPAC NameN-[6-(5-fluoro-3-pyridinyl)isoquinolin-3-yl]-2-(1-methylpiperidin-4-yl)-1,3-oxazole-4-carboxamide
SMILESCN1CCC(c2nc(C(=O)Nc3cc4cc(-c5cncc(F)c5)ccc4cn3)co2)CC1
InChIInChI=1S/C24H22FN5O2/c1-30-6-4-15(5-7-30)24-28-21(14-32-24)23(31)29-22-10-18-8-16(2-3-17(18)12-27-22)19-9-20(25)13-26-11-19/h2-3,8-15H,4-7H2,1H3,(H,27,29,31)
InChIKeyZMEFCYZKVPFXPP-UHFFFAOYSA-N
XLogP4.49
TPSA84.15 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms32
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500431.47
LogP ≤ 54.49
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-methylpiperidin-4-yl)-1,3-oxazole-4-carboxamide?
The IUPAC name of N-[6-(5-fluoro-3-pyridinyl)isoquinolin-3-yl]-2-(1-methylpiperidin-4-yl)-1,3-oxazole-4-carboxamide (CID 138586354) is N-[6-(5-fluoro-3-pyridinyl)isoquinolin-3-yl]-2-(1-methylpiperidin-4-yl)-1,3-oxazole-4-carboxamide.
What is the SMILES notation for N-[6-(5-fluoro-3-pyridinyl)isoquinolin-3-yl]-2-(1-methylpiperidin-4-yl)-1,3-oxazole-4-carboxamide?
The canonical SMILES for N-[6-(5-fluoro-3-pyridinyl)isoquinolin-3-yl]-2-(1-methylpiperidin-4-yl)-1,3-oxazole-4-carboxamide is CN1CCC(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-methylpiperidin-4-yl)-1,3-oxazole-4-carboxamide?
The InChIKey is ZMEFCYZKVPFXPP-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H22FN5O2/c1-30-6-4-15(5-7-30)24-28-21(14-32-24)23(31)29-22-10-18-8-16(2-3-17(18)12-27-22)19-9-20(25)13-26-11-19/h2-3,8-15H,4-7H2,1H3,(H,27,29,31).
What are the key properties of N-[6-(5-fluoro-3-pyridinyl)isoquinolin-3-yl]-2-(1-methylpiperidin-4-yl)-1,3-oxazole-4-carboxamide?
N-[6-(5-fluoro-3-pyridinyl)isoquinolin-3-yl]-2-(1-methylpiperidin-4-yl)-1,3-oxazole-4-carboxamide has a molecular weight of 431.47 g/mol, XLogP of 4.49, 4 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-methylpiperidin-4-yl)-1,3-oxazole-4-carboxamide is sourced from PubChem (CID 138586354), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).