5-(6-carbamoylpyrimidin-4-yl)oxy-N-[1-methyl-5-(trifluoromethyl)pyrazol-3-yl]indole-1-carboxamide

C19H14F3N7O3 — CID 86291164

IUPAC5-(6-carbamoylpyrimidin-4-yl)oxy-N-[1-methyl-5-(trifluoromethyl)pyrazol-3-yl]indole-1-carboxamide
SMILESCn1nc(NC(=O)n2ccc3cc(Oc4cc(C(N)=O)ncn4)ccc32)cc1C(F)(F)F
InChIInChI=1S/C19H14F3N7O3/c1-28-14(19(20,21)22)8-15(27-28)26-18(31)29-5-4-10-6-11(2-3-13(10)29)32-16-7-12(17(23)30)24-9-25-16/h2-9H,1H3,(H2,23,30)(H,26,27,31)
InChIKeyHIMVPQIMIRKCJN-UHFFFAOYSA-N
MW445.36 g/mol
LogP3.15
Rot. Bonds4

About 5-(6-carbamoylpyrimidin-4-yl)oxy-N-[1-methyl-5-(trifluoromethyl)pyrazol-3-yl]indole-1-carboxamide

5-(6-carbamoylpyrimidin-4-yl)oxy-N-[1-methyl-5-(trifluoromethyl)pyrazol-3-yl]indole-1-carboxamide (PubChem CID 86291164) has the molecular formula C19H14F3N7O3 and a molecular weight of 445.36 g/mol. Its IUPAC name is 5-(6-carbamoylpyrimidin-4-yl)oxy-N-[1-methyl-5-(trifluoromethyl)pyrazol-3-yl]indole-1-carboxamide.

Molecular Properties

Compound Name5-(6-carbamoylpyrimidin-4-yl)oxy-N-[1-methyl-5-(trifluoromethyl)pyrazol-3-yl]indole-1-carboxamide
PubChem CID86291164
Molecular FormulaC19H14F3N7O3
Molecular Weight445.36 g/mol
Exact Mass445.11
IUPAC Name5-(6-carbamoylpyrimidin-4-yl)oxy-N-[1-methyl-5-(trifluoromethyl)pyrazol-3-yl]indole-1-carboxamide
SMILESCn1nc(NC(=O)n2ccc3cc(Oc4cc(C(N)=O)ncn4)ccc32)cc1C(F)(F)F
InChIInChI=1S/C19H14F3N7O3/c1-28-14(19(20,21)22)8-15(27-28)26-18(31)29-5-4-10-6-11(2-3-13(10)29)32-16-7-12(17(23)30)24-9-25-16/h2-9H,1H3,(H2,23,30)(H,26,27,31)
InChIKeyHIMVPQIMIRKCJN-UHFFFAOYSA-N
XLogP3.15
TPSA129.95 Ų
H-Bond Donors2
H-Bond Acceptors8
Rotatable Bonds4
Heavy Atoms32
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500445.36
LogP ≤ 53.15
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 108

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Frequently Asked Questions

What is the IUPAC name of 5-(6-carbamoylpyrimidin-4-yl)oxy-N-[1-methyl-5-(trifluoromethyl)pyrazol-3-yl]indole-1-carboxamide?
The IUPAC name of 5-(6-carbamoylpyrimidin-4-yl)oxy-N-[1-methyl-5-(trifluoromethyl)pyrazol-3-yl]indole-1-carboxamide (CID 86291164) is 5-(6-carbamoylpyrimidin-4-yl)oxy-N-[1-methyl-5-(trifluoromethyl)pyrazol-3-yl]indole-1-carboxamide.
What is the SMILES notation for 5-(6-carbamoylpyrimidin-4-yl)oxy-N-[1-methyl-5-(trifluoromethyl)pyrazol-3-yl]indole-1-carboxamide?
The canonical SMILES for 5-(6-carbamoylpyrimidin-4-yl)oxy-N-[1-methyl-5-(trifluoromethyl)pyrazol-3-yl]indole-1-carboxamide is Cn1nc(NC(=O)n2ccc3cc(Oc4cc(C(N)=O)ncn4)ccc32)cc1C(F)(F)F.
What is the InChIKey of 5-(6-carbamoylpyrimidin-4-yl)oxy-N-[1-methyl-5-(trifluoromethyl)pyrazol-3-yl]indole-1-carboxamide?
The InChIKey is HIMVPQIMIRKCJN-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H14F3N7O3/c1-28-14(19(20,21)22)8-15(27-28)26-18(31)29-5-4-10-6-11(2-3-13(10)29)32-16-7-12(17(23)30)24-9-25-16/h2-9H,1H3,(H2,23,30)(H,26,27,31).
What are the key properties of 5-(6-carbamoylpyrimidin-4-yl)oxy-N-[1-methyl-5-(trifluoromethyl)pyrazol-3-yl]indole-1-carboxamide?
5-(6-carbamoylpyrimidin-4-yl)oxy-N-[1-methyl-5-(trifluoromethyl)pyrazol-3-yl]indole-1-carboxamide has a molecular weight of 445.36 g/mol, XLogP of 3.15, 4 rotatable bonds, 2 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for 5-(6-carbamoylpyrimidin-4-yl)oxy-N-[1-methyl-5-(trifluoromethyl)pyrazol-3-yl]indole-1-carboxamide is sourced from PubChem (CID 86291164), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).