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N-[4-(6-imidazol-1-yl-2-methylpyrimidin-4-yl)oxyphenyl]-3-methoxy-1-methylpyrazole-4-carboxamide

C20H19N7O3 — CID 122313187

Data last refreshed: (MolForge compound catalog, from PubChem)

IUPACN-[4-(6-imidazol-1-yl-2-methylpyrimidin-4-yl)oxyphenyl]-3-methoxy-1-methylpyrazole-4-carboxamide
SMILESCOc1nn(C)cc1C(=O)Nc1ccc(Oc2cc(-n3ccnc3)nc(C)n2)cc1
InChIInChI=1S/C20H19N7O3/c1-13-22-17(27-9-8-21-12-27)10-18(23-13)30-15-6-4-14(5-7-15)24-19(28)16-11-26(2)25-20(16)29-3/h4-12H,1-3H3,(H,24,28)
InChIKeyFACVVYKDYZZVLC-UHFFFAOYSA-N
MW405.42 g/mol
LogP2.76
Rot. Bonds6

About N-[4-(6-imidazol-1-yl-2-methylpyrimidin-4-yl)oxyphenyl]-3-methoxy-1-methylpyrazole-4-carboxamide

N-[4-(6-imidazol-1-yl-2-methylpyrimidin-4-yl)oxyphenyl]-3-methoxy-1-methylpyrazole-4-carboxamide (PubChem CID 122313187) has the molecular formula C20H19N7O3 and a molecular weight of 405.42 g/mol. Its IUPAC name is N-[4-(6-imidazol-1-yl-2-methylpyrimidin-4-yl)oxyphenyl]-3-methoxy-1-methylpyrazole-4-carboxamide.

Molecular Properties

Compound NameN-[4-(6-imidazol-1-yl-2-methylpyrimidin-4-yl)oxyphenyl]-3-methoxy-1-methylpyrazole-4-carboxamide
PubChem CID122313187
Molecular FormulaC20H19N7O3
Molecular Weight405.42 g/mol
Exact Mass405.15
IUPAC NameN-[4-(6-imidazol-1-yl-2-methylpyrimidin-4-yl)oxyphenyl]-3-methoxy-1-methylpyrazole-4-carboxamide
SMILESCOc1nn(C)cc1C(=O)Nc1ccc(Oc2cc(-n3ccnc3)nc(C)n2)cc1
InChIInChI=1S/C20H19N7O3/c1-13-22-17(27-9-8-21-12-27)10-18(23-13)30-15-6-4-14(5-7-15)24-19(28)16-11-26(2)25-20(16)29-3/h4-12H,1-3H3,(H,24,28)
InChIKeyFACVVYKDYZZVLC-UHFFFAOYSA-N
XLogP2.76
TPSA108.98 Ų
H-Bond Donors1
H-Bond Acceptors9
Rotatable Bonds6
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500405.42
LogP ≤ 52.76
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 109

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Frequently Asked Questions

What is the IUPAC name of N-[4-(6-imidazol-1-yl-2-methylpyrimidin-4-yl)oxyphenyl]-3-methoxy-1-methylpyrazole-4-carboxamide?
The IUPAC name of N-[4-(6-imidazol-1-yl-2-methylpyrimidin-4-yl)oxyphenyl]-3-methoxy-1-methylpyrazole-4-carboxamide (CID 122313187) is N-[4-(6-imidazol-1-yl-2-methylpyrimidin-4-yl)oxyphenyl]-3-methoxy-1-methylpyrazole-4-carboxamide.
What is the SMILES notation for N-[4-(6-imidazol-1-yl-2-methylpyrimidin-4-yl)oxyphenyl]-3-methoxy-1-methylpyrazole-4-carboxamide?
The canonical SMILES for N-[4-(6-imidazol-1-yl-2-methylpyrimidin-4-yl)oxyphenyl]-3-methoxy-1-methylpyrazole-4-carboxamide is COc1nn(C)cc1C(=O)Nc1ccc(Oc2cc(-n3ccnc3)nc(C)n2)cc1.
What is the InChIKey of N-[4-(6-imidazol-1-yl-2-methylpyrimidin-4-yl)oxyphenyl]-3-methoxy-1-methylpyrazole-4-carboxamide?
The InChIKey is FACVVYKDYZZVLC-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H19N7O3/c1-13-22-17(27-9-8-21-12-27)10-18(23-13)30-15-6-4-14(5-7-15)24-19(28)16-11-26(2)25-20(16)29-3/h4-12H,1-3H3,(H,24,28).
What are the key properties of N-[4-(6-imidazol-1-yl-2-methylpyrimidin-4-yl)oxyphenyl]-3-methoxy-1-methylpyrazole-4-carboxamide?
N-[4-(6-imidazol-1-yl-2-methylpyrimidin-4-yl)oxyphenyl]-3-methoxy-1-methylpyrazole-4-carboxamide has a molecular weight of 405.42 g/mol, XLogP of 2.76, 6 rotatable bonds, 1 hydrogen bond donors, and 9 hydrogen bond acceptors.
Where does this data come from?
All data for N-[4-(6-imidazol-1-yl-2-methylpyrimidin-4-yl)oxyphenyl]-3-methoxy-1-methylpyrazole-4-carboxamide is sourced from PubChem (CID 122313187), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).

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