N-[4-(6-imidazol-1-ylpyrimidin-4-yl)oxyphenyl]-4-oxochromene-2-carboxamide

C23H15N5O4 — CID 122312047

IUPACN-[4-(6-imidazol-1-ylpyrimidin-4-yl)oxyphenyl]-4-oxochromene-2-carboxamide
SMILESO=C(Nc1ccc(Oc2cc(-n3ccnc3)ncn2)cc1)c1cc(=O)c2ccccc2o1
InChIInChI=1S/C23H15N5O4/c29-18-11-20(32-19-4-2-1-3-17(18)19)23(30)27-15-5-7-16(8-6-15)31-22-12-21(25-13-26-22)28-10-9-24-14-28/h1-14H,(H,27,30)
InChIKeyALMNNDROPLCTNU-UHFFFAOYSA-N
MW425.40 g/mol
LogP3.81
Rot. Bonds5

About N-[4-(6-imidazol-1-ylpyrimidin-4-yl)oxyphenyl]-4-oxochromene-2-carboxamide

N-[4-(6-imidazol-1-ylpyrimidin-4-yl)oxyphenyl]-4-oxochromene-2-carboxamide (PubChem CID 122312047) has the molecular formula C23H15N5O4 and a molecular weight of 425.40 g/mol. Its IUPAC name is N-[4-(6-imidazol-1-ylpyrimidin-4-yl)oxyphenyl]-4-oxochromene-2-carboxamide.

Molecular Properties

Compound NameN-[4-(6-imidazol-1-ylpyrimidin-4-yl)oxyphenyl]-4-oxochromene-2-carboxamide
PubChem CID122312047
Molecular FormulaC23H15N5O4
Molecular Weight425.40 g/mol
Exact Mass425.11
IUPAC NameN-[4-(6-imidazol-1-ylpyrimidin-4-yl)oxyphenyl]-4-oxochromene-2-carboxamide
SMILESO=C(Nc1ccc(Oc2cc(-n3ccnc3)ncn2)cc1)c1cc(=O)c2ccccc2o1
InChIInChI=1S/C23H15N5O4/c29-18-11-20(32-19-4-2-1-3-17(18)19)23(30)27-15-5-7-16(8-6-15)31-22-12-21(25-13-26-22)28-10-9-24-14-28/h1-14H,(H,27,30)
InChIKeyALMNNDROPLCTNU-UHFFFAOYSA-N
XLogP3.81
TPSA112.14 Ų
H-Bond Donors1
H-Bond Acceptors8
Rotatable Bonds5
Heavy Atoms32
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500425.40
LogP ≤ 53.81
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 108

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Related Compounds

N-[4-(6-imidazol-1-yl-2-methylpyrimidin-4-yl)oxyphenyl]-4-oxochromene-2-carboxamide
CID 122313181
N-[4-(6-imidazol-1-ylpyrimidin-4-yl)oxyphenyl]thiophene-3-carboxamide
CID 122312000
4-chloro-N-[4-(6-imidazol-1-ylpyrimidin-4-yl)oxyphenyl]benzamide
CID 122311866
N-[4-(6-imidazol-1-ylpyrimidin-4-yl)oxyphenyl]-3,5-dimethylbenzamide
CID 122311892
2,4-dichloro-N-[4-(6-imidazol-1-ylpyrimidin-4-yl)oxyphenyl]benzamide
CID 122311868
1-[4-(6-imidazol-1-ylpyrimidin-4-yl)oxyphenyl]-3-(3,4,5-trimethoxyphenyl)urea
CID 122312189
1-[4-(6-imidazol-1-ylpyrimidin-4-yl)oxyphenyl]-3-[2-(trifluoromethyl)phenyl]urea
CID 122312192
N-[4-[[6-(2-methylimidazol-1-yl)pyrimidin-4-yl]amino]phenyl]-4-oxochromene-2-carboxamide
CID 122291827
1-[3,5-bis(trifluoromethyl)phenyl]-3-[4-(6-imidazol-1-ylpyrimidin-4-yl)oxyphenyl]urea
CID 122311988
N-[2-[[4-[2-[(2-imidazol-1-ylpyrimidin-5-yl)methyl-methylamino]ethyl]phenyl]carbamoyl]-4,5-dimethoxyphenyl]-4-oxochromene-2-carboxamide
CID 164728864
N-[4-[2-(ethylamino)-2-oxoethoxy]phenyl]-4-oxochromene-2-carboxamide
CID 32938140
1-(3-chloro-4-fluorophenyl)-3-[4-(6-imidazol-1-ylpyrimidin-4-yl)oxyphenyl]urea
CID 122311934

Frequently Asked Questions

What is the IUPAC name of N-[4-(6-imidazol-1-ylpyrimidin-4-yl)oxyphenyl]-4-oxochromene-2-carboxamide?
The IUPAC name of N-[4-(6-imidazol-1-ylpyrimidin-4-yl)oxyphenyl]-4-oxochromene-2-carboxamide (CID 122312047) is N-[4-(6-imidazol-1-ylpyrimidin-4-yl)oxyphenyl]-4-oxochromene-2-carboxamide.
What is the SMILES notation for N-[4-(6-imidazol-1-ylpyrimidin-4-yl)oxyphenyl]-4-oxochromene-2-carboxamide?
The canonical SMILES for N-[4-(6-imidazol-1-ylpyrimidin-4-yl)oxyphenyl]-4-oxochromene-2-carboxamide is O=C(Nc1ccc(Oc2cc(-n3ccnc3)ncn2)cc1)c1cc(=O)c2ccccc2o1.
What is the InChIKey of N-[4-(6-imidazol-1-ylpyrimidin-4-yl)oxyphenyl]-4-oxochromene-2-carboxamide?
The InChIKey is ALMNNDROPLCTNU-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H15N5O4/c29-18-11-20(32-19-4-2-1-3-17(18)19)23(30)27-15-5-7-16(8-6-15)31-22-12-21(25-13-26-22)28-10-9-24-14-28/h1-14H,(H,27,30).
What are the key properties of N-[4-(6-imidazol-1-ylpyrimidin-4-yl)oxyphenyl]-4-oxochromene-2-carboxamide?
N-[4-(6-imidazol-1-ylpyrimidin-4-yl)oxyphenyl]-4-oxochromene-2-carboxamide has a molecular weight of 425.40 g/mol, XLogP of 3.81, 5 rotatable bonds, 1 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for N-[4-(6-imidazol-1-ylpyrimidin-4-yl)oxyphenyl]-4-oxochromene-2-carboxamide is sourced from PubChem (CID 122312047), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).