N-[6-amino-5-[1-methyl-3-(trifluoromethyl)pyrazol-5-yl]-2-pyridinyl]-2,4,5-trifluoro-3-methoxybenzamide

C18H13F6N5O2 — CID 88885243

IUPACN-[6-amino-5-[1-methyl-3-(trifluoromethyl)pyrazol-5-yl]-2-pyridinyl]-2,4,5-trifluoro-3-methoxybenzamide
SMILESCOc1c(F)c(F)cc(C(=O)Nc2ccc(-c3cc(C(F)(F)F)nn3C)c(N)n2)c1F
InChIInChI=1S/C18H13F6N5O2/c1-29-10(6-11(28-29)18(22,23)24)7-3-4-12(26-16(7)25)27-17(30)8-5-9(19)14(21)15(31-2)13(8)20/h3-6H,1-2H3,(H3,25,26,27,30)
InChIKeyDHGULHBQKBIPTF-UHFFFAOYSA-N
MW445.32 g/mol
LogP3.76
Rot. Bonds4

About N-[6-amino-5-[1-methyl-3-(trifluoromethyl)pyrazol-5-yl]-2-pyridinyl]-2,4,5-trifluoro-3-methoxybenzamide

N-[6-amino-5-[1-methyl-3-(trifluoromethyl)pyrazol-5-yl]-2-pyridinyl]-2,4,5-trifluoro-3-methoxybenzamide (PubChem CID 88885243) has the molecular formula C18H13F6N5O2 and a molecular weight of 445.32 g/mol. Its IUPAC name is N-[6-amino-5-[1-methyl-3-(trifluoromethyl)pyrazol-5-yl]-2-pyridinyl]-2,4,5-trifluoro-3-methoxybenzamide.

Molecular Properties

Compound NameN-[6-amino-5-[1-methyl-3-(trifluoromethyl)pyrazol-5-yl]-2-pyridinyl]-2,4,5-trifluoro-3-methoxybenzamide
PubChem CID88885243
Molecular FormulaC18H13F6N5O2
Molecular Weight445.32 g/mol
Exact Mass445.10
IUPAC NameN-[6-amino-5-[1-methyl-3-(trifluoromethyl)pyrazol-5-yl]-2-pyridinyl]-2,4,5-trifluoro-3-methoxybenzamide
SMILESCOc1c(F)c(F)cc(C(=O)Nc2ccc(-c3cc(C(F)(F)F)nn3C)c(N)n2)c1F
InChIInChI=1S/C18H13F6N5O2/c1-29-10(6-11(28-29)18(22,23)24)7-3-4-12(26-16(7)25)27-17(30)8-5-9(19)14(21)15(31-2)13(8)20/h3-6H,1-2H3,(H3,25,26,27,30)
InChIKeyDHGULHBQKBIPTF-UHFFFAOYSA-N
XLogP3.76
TPSA95.06 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms31
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500445.32
LogP ≤ 53.76
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'halogenated_ring_1', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of N-[6-amino-5-[1-methyl-3-(trifluoromethyl)pyrazol-5-yl]-2-pyridinyl]-2,4,5-trifluoro-3-methoxybenzamide?
The IUPAC name of N-[6-amino-5-[1-methyl-3-(trifluoromethyl)pyrazol-5-yl]-2-pyridinyl]-2,4,5-trifluoro-3-methoxybenzamide (CID 88885243) is N-[6-amino-5-[1-methyl-3-(trifluoromethyl)pyrazol-5-yl]-2-pyridinyl]-2,4,5-trifluoro-3-methoxybenzamide.
What is the SMILES notation for N-[6-amino-5-[1-methyl-3-(trifluoromethyl)pyrazol-5-yl]-2-pyridinyl]-2,4,5-trifluoro-3-methoxybenzamide?
The canonical SMILES for N-[6-amino-5-[1-methyl-3-(trifluoromethyl)pyrazol-5-yl]-2-pyridinyl]-2,4,5-trifluoro-3-methoxybenzamide is COc1c(F)c(F)cc(C(=O)Nc2ccc(-c3cc(C(F)(F)F)nn3C)c(N)n2)c1F.
What is the InChIKey of N-[6-amino-5-[1-methyl-3-(trifluoromethyl)pyrazol-5-yl]-2-pyridinyl]-2,4,5-trifluoro-3-methoxybenzamide?
The InChIKey is DHGULHBQKBIPTF-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H13F6N5O2/c1-29-10(6-11(28-29)18(22,23)24)7-3-4-12(26-16(7)25)27-17(30)8-5-9(19)14(21)15(31-2)13(8)20/h3-6H,1-2H3,(H3,25,26,27,30).
What are the key properties of N-[6-amino-5-[1-methyl-3-(trifluoromethyl)pyrazol-5-yl]-2-pyridinyl]-2,4,5-trifluoro-3-methoxybenzamide?
N-[6-amino-5-[1-methyl-3-(trifluoromethyl)pyrazol-5-yl]-2-pyridinyl]-2,4,5-trifluoro-3-methoxybenzamide has a molecular weight of 445.32 g/mol, XLogP of 3.76, 4 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-[6-amino-5-[1-methyl-3-(trifluoromethyl)pyrazol-5-yl]-2-pyridinyl]-2,4,5-trifluoro-3-methoxybenzamide is sourced from PubChem (CID 88885243), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).