6-fluoro-N-[6-(4-methoxyoxan-4-yl)-3-pyridinyl]-4-oxo-8-(1,3,5-trimethylpyrazol-4-yl)chromene-2-carboxamide

C27H27FN4O5 — CID 45104767

IUPAC6-fluoro-N-[6-(4-methoxyoxan-4-yl)-3-pyridinyl]-4-oxo-8-(1,3,5-trimethylpyrazol-4-yl)chromene-2-carboxamide
SMILESCOC1(c2ccc(NC(=O)c3cc(=O)c4cc(F)cc(-c5c(C)nn(C)c5C)c4o3)cn2)CCOCC1
InChIInChI=1S/C27H27FN4O5/c1-15-24(16(2)32(3)31-15)20-12-17(28)11-19-21(33)13-22(37-25(19)20)26(34)30-18-5-6-23(29-14-18)27(35-4)7-9-36-10-8-27/h5-6,11-14H,7-10H2,1-4H3,(H,30,34)
InChIKeyNWXMOGAAGJJIMH-UHFFFAOYSA-N
MW506.53 g/mol
LogP4.25
Rot. Bonds5

About 6-fluoro-N-[6-(4-methoxyoxan-4-yl)-3-pyridinyl]-4-oxo-8-(1,3,5-trimethylpyrazol-4-yl)chromene-2-carboxamide

6-fluoro-N-[6-(4-methoxyoxan-4-yl)-3-pyridinyl]-4-oxo-8-(1,3,5-trimethylpyrazol-4-yl)chromene-2-carboxamide (PubChem CID 45104767) has the molecular formula C27H27FN4O5 and a molecular weight of 506.53 g/mol. Its IUPAC name is 6-fluoro-N-[6-(4-methoxyoxan-4-yl)-3-pyridinyl]-4-oxo-8-(1,3,5-trimethylpyrazol-4-yl)chromene-2-carboxamide.

Molecular Properties

Compound Name6-fluoro-N-[6-(4-methoxyoxan-4-yl)-3-pyridinyl]-4-oxo-8-(1,3,5-trimethylpyrazol-4-yl)chromene-2-carboxamide
PubChem CID45104767
Molecular FormulaC27H27FN4O5
Molecular Weight506.53 g/mol
Exact Mass506.20
IUPAC Name6-fluoro-N-[6-(4-methoxyoxan-4-yl)-3-pyridinyl]-4-oxo-8-(1,3,5-trimethylpyrazol-4-yl)chromene-2-carboxamide
SMILESCOC1(c2ccc(NC(=O)c3cc(=O)c4cc(F)cc(-c5c(C)nn(C)c5C)c4o3)cn2)CCOCC1
InChIInChI=1S/C27H27FN4O5/c1-15-24(16(2)32(3)31-15)20-12-17(28)11-19-21(33)13-22(37-25(19)20)26(34)30-18-5-6-23(29-14-18)27(35-4)7-9-36-10-8-27/h5-6,11-14H,7-10H2,1-4H3,(H,30,34)
InChIKeyNWXMOGAAGJJIMH-UHFFFAOYSA-N
XLogP4.25
TPSA108.48 Ų
H-Bond Donors1
H-Bond Acceptors8
Rotatable Bonds5
Heavy Atoms37
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500506.53
LogP ≤ 54.25
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 108

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Frequently Asked Questions

What is the IUPAC name of 6-fluoro-N-[6-(4-methoxyoxan-4-yl)-3-pyridinyl]-4-oxo-8-(1,3,5-trimethylpyrazol-4-yl)chromene-2-carboxamide?
The IUPAC name of 6-fluoro-N-[6-(4-methoxyoxan-4-yl)-3-pyridinyl]-4-oxo-8-(1,3,5-trimethylpyrazol-4-yl)chromene-2-carboxamide (CID 45104767) is 6-fluoro-N-[6-(4-methoxyoxan-4-yl)-3-pyridinyl]-4-oxo-8-(1,3,5-trimethylpyrazol-4-yl)chromene-2-carboxamide.
What is the SMILES notation for 6-fluoro-N-[6-(4-methoxyoxan-4-yl)-3-pyridinyl]-4-oxo-8-(1,3,5-trimethylpyrazol-4-yl)chromene-2-carboxamide?
The canonical SMILES for 6-fluoro-N-[6-(4-methoxyoxan-4-yl)-3-pyridinyl]-4-oxo-8-(1,3,5-trimethylpyrazol-4-yl)chromene-2-carboxamide is COC1(c2ccc(NC(=O)c3cc(=O)c4cc(F)cc(-c5c(C)nn(C)c5C)c4o3)cn2)CCOCC1.
What is the InChIKey of 6-fluoro-N-[6-(4-methoxyoxan-4-yl)-3-pyridinyl]-4-oxo-8-(1,3,5-trimethylpyrazol-4-yl)chromene-2-carboxamide?
The InChIKey is NWXMOGAAGJJIMH-UHFFFAOYSA-N. The full InChI is InChI=1S/C27H27FN4O5/c1-15-24(16(2)32(3)31-15)20-12-17(28)11-19-21(33)13-22(37-25(19)20)26(34)30-18-5-6-23(29-14-18)27(35-4)7-9-36-10-8-27/h5-6,11-14H,7-10H2,1-4H3,(H,30,34).
What are the key properties of 6-fluoro-N-[6-(4-methoxyoxan-4-yl)-3-pyridinyl]-4-oxo-8-(1,3,5-trimethylpyrazol-4-yl)chromene-2-carboxamide?
6-fluoro-N-[6-(4-methoxyoxan-4-yl)-3-pyridinyl]-4-oxo-8-(1,3,5-trimethylpyrazol-4-yl)chromene-2-carboxamide has a molecular weight of 506.53 g/mol, XLogP of 4.25, 5 rotatable bonds, 1 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for 6-fluoro-N-[6-(4-methoxyoxan-4-yl)-3-pyridinyl]-4-oxo-8-(1,3,5-trimethylpyrazol-4-yl)chromene-2-carboxamide is sourced from PubChem (CID 45104767), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).