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

C25H25FN6O2 — CID 138588781

IUPACN-[6-(5-fluoro-3-pyridinyl)cinnolin-3-yl]-2-(1-propan-2-ylpiperidin-4-yl)-1,3-oxazole-4-carboxamide
SMILESCC(C)N1CCC(c2nc(C(=O)Nc3cc4cc(-c5cncc(F)c5)ccc4nn3)co2)CC1
InChIInChI=1S/C25H25FN6O2/c1-15(2)32-7-5-16(6-8-32)25-28-22(14-34-25)24(33)29-23-11-18-9-17(3-4-21(18)30-31-23)19-10-20(26)13-27-12-19/h3-4,9-16H,5-8H2,1-2H3,(H,29,31,33)
InChIKeyKDGKXKMNNYBZBU-UHFFFAOYSA-N
MW460.51 g/mol
LogP4.66
Rot. Bonds5

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

N-[6-(5-fluoro-3-pyridinyl)cinnolin-3-yl]-2-(1-propan-2-ylpiperidin-4-yl)-1,3-oxazole-4-carboxamide (PubChem CID 138588781) has the molecular formula C25H25FN6O2 and a molecular weight of 460.51 g/mol. Its IUPAC name is N-[6-(5-fluoro-3-pyridinyl)cinnolin-3-yl]-2-(1-propan-2-ylpiperidin-4-yl)-1,3-oxazole-4-carboxamide.

Molecular Properties

Compound NameN-[6-(5-fluoro-3-pyridinyl)cinnolin-3-yl]-2-(1-propan-2-ylpiperidin-4-yl)-1,3-oxazole-4-carboxamide
PubChem CID138588781
Molecular FormulaC25H25FN6O2
Molecular Weight460.51 g/mol
Exact Mass460.20
IUPAC NameN-[6-(5-fluoro-3-pyridinyl)cinnolin-3-yl]-2-(1-propan-2-ylpiperidin-4-yl)-1,3-oxazole-4-carboxamide
SMILESCC(C)N1CCC(c2nc(C(=O)Nc3cc4cc(-c5cncc(F)c5)ccc4nn3)co2)CC1
InChIInChI=1S/C25H25FN6O2/c1-15(2)32-7-5-16(6-8-32)25-28-22(14-34-25)24(33)29-23-11-18-9-17(3-4-21(18)30-31-23)19-10-20(26)13-27-12-19/h3-4,9-16H,5-8H2,1-2H3,(H,29,31,33)
InChIKeyKDGKXKMNNYBZBU-UHFFFAOYSA-N
XLogP4.66
TPSA97.04 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds5
Heavy Atoms34
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500460.51
LogP ≤ 54.66
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

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Frequently Asked Questions

What is the IUPAC name of N-[6-(5-fluoro-3-pyridinyl)cinnolin-3-yl]-2-(1-propan-2-ylpiperidin-4-yl)-1,3-oxazole-4-carboxamide?
The IUPAC name of N-[6-(5-fluoro-3-pyridinyl)cinnolin-3-yl]-2-(1-propan-2-ylpiperidin-4-yl)-1,3-oxazole-4-carboxamide (CID 138588781) is N-[6-(5-fluoro-3-pyridinyl)cinnolin-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)cinnolin-3-yl]-2-(1-propan-2-ylpiperidin-4-yl)-1,3-oxazole-4-carboxamide?
The canonical SMILES for N-[6-(5-fluoro-3-pyridinyl)cinnolin-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)ccc4nn3)co2)CC1.
What is the InChIKey of N-[6-(5-fluoro-3-pyridinyl)cinnolin-3-yl]-2-(1-propan-2-ylpiperidin-4-yl)-1,3-oxazole-4-carboxamide?
The InChIKey is KDGKXKMNNYBZBU-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H25FN6O2/c1-15(2)32-7-5-16(6-8-32)25-28-22(14-34-25)24(33)29-23-11-18-9-17(3-4-21(18)30-31-23)19-10-20(26)13-27-12-19/h3-4,9-16H,5-8H2,1-2H3,(H,29,31,33).
What are the key properties of N-[6-(5-fluoro-3-pyridinyl)cinnolin-3-yl]-2-(1-propan-2-ylpiperidin-4-yl)-1,3-oxazole-4-carboxamide?
N-[6-(5-fluoro-3-pyridinyl)cinnolin-3-yl]-2-(1-propan-2-ylpiperidin-4-yl)-1,3-oxazole-4-carboxamide has a molecular weight of 460.51 g/mol, XLogP of 4.66, 5 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for N-[6-(5-fluoro-3-pyridinyl)cinnolin-3-yl]-2-(1-propan-2-ylpiperidin-4-yl)-1,3-oxazole-4-carboxamide is sourced from PubChem (CID 138588781), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).