N-[[4-fluoro-3-(trifluoromethyl)phenyl]carbamoyl]-1,3,6-trimethylpyrazolo[3,4-b]pyridine-5-carboxamide

C18H15F4N5O2 — CID 10179668

IUPACN-[[4-fluoro-3-(trifluoromethyl)phenyl]carbamoyl]-1,3,6-trimethylpyrazolo[3,4-b]pyridine-5-carboxamide
SMILESCc1nc2c(cc1C(=O)NC(=O)Nc1ccc(F)c(C(F)(F)F)c1)c(C)nn2C
InChIInChI=1S/C18H15F4N5O2/c1-8-12(7-11-9(2)26-27(3)15(11)23-8)16(28)25-17(29)24-10-4-5-14(19)13(6-10)18(20,21)22/h4-7H,1-3H3,(H2,24,25,28,29)
InChIKeyKIUVYMOXWNIMCF-UHFFFAOYSA-N
MW409.34 g/mol
LogP3.70
Rot. Bonds2

About N-[[4-fluoro-3-(trifluoromethyl)phenyl]carbamoyl]-1,3,6-trimethylpyrazolo[3,4-b]pyridine-5-carboxamide

N-[[4-fluoro-3-(trifluoromethyl)phenyl]carbamoyl]-1,3,6-trimethylpyrazolo[3,4-b]pyridine-5-carboxamide (PubChem CID 10179668) has the molecular formula C18H15F4N5O2 and a molecular weight of 409.34 g/mol. Its IUPAC name is N-[[4-fluoro-3-(trifluoromethyl)phenyl]carbamoyl]-1,3,6-trimethylpyrazolo[3,4-b]pyridine-5-carboxamide.

Molecular Properties

Compound NameN-[[4-fluoro-3-(trifluoromethyl)phenyl]carbamoyl]-1,3,6-trimethylpyrazolo[3,4-b]pyridine-5-carboxamide
PubChem CID10179668
Molecular FormulaC18H15F4N5O2
Molecular Weight409.34 g/mol
Exact Mass409.12
IUPAC NameN-[[4-fluoro-3-(trifluoromethyl)phenyl]carbamoyl]-1,3,6-trimethylpyrazolo[3,4-b]pyridine-5-carboxamide
SMILESCc1nc2c(cc1C(=O)NC(=O)Nc1ccc(F)c(C(F)(F)F)c1)c(C)nn2C
InChIInChI=1S/C18H15F4N5O2/c1-8-12(7-11-9(2)26-27(3)15(11)23-8)16(28)25-17(29)24-10-4-5-14(19)13(6-10)18(20,21)22/h4-7H,1-3H3,(H2,24,25,28,29)
InChIKeyKIUVYMOXWNIMCF-UHFFFAOYSA-N
XLogP3.70
TPSA88.91 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds2
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500409.34
LogP ≤ 53.70
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of N-[[4-fluoro-3-(trifluoromethyl)phenyl]carbamoyl]-1,3,6-trimethylpyrazolo[3,4-b]pyridine-5-carboxamide?
The IUPAC name of N-[[4-fluoro-3-(trifluoromethyl)phenyl]carbamoyl]-1,3,6-trimethylpyrazolo[3,4-b]pyridine-5-carboxamide (CID 10179668) is N-[[4-fluoro-3-(trifluoromethyl)phenyl]carbamoyl]-1,3,6-trimethylpyrazolo[3,4-b]pyridine-5-carboxamide.
What is the SMILES notation for N-[[4-fluoro-3-(trifluoromethyl)phenyl]carbamoyl]-1,3,6-trimethylpyrazolo[3,4-b]pyridine-5-carboxamide?
The canonical SMILES for N-[[4-fluoro-3-(trifluoromethyl)phenyl]carbamoyl]-1,3,6-trimethylpyrazolo[3,4-b]pyridine-5-carboxamide is Cc1nc2c(cc1C(=O)NC(=O)Nc1ccc(F)c(C(F)(F)F)c1)c(C)nn2C.
What is the InChIKey of N-[[4-fluoro-3-(trifluoromethyl)phenyl]carbamoyl]-1,3,6-trimethylpyrazolo[3,4-b]pyridine-5-carboxamide?
The InChIKey is KIUVYMOXWNIMCF-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H15F4N5O2/c1-8-12(7-11-9(2)26-27(3)15(11)23-8)16(28)25-17(29)24-10-4-5-14(19)13(6-10)18(20,21)22/h4-7H,1-3H3,(H2,24,25,28,29).
What are the key properties of N-[[4-fluoro-3-(trifluoromethyl)phenyl]carbamoyl]-1,3,6-trimethylpyrazolo[3,4-b]pyridine-5-carboxamide?
N-[[4-fluoro-3-(trifluoromethyl)phenyl]carbamoyl]-1,3,6-trimethylpyrazolo[3,4-b]pyridine-5-carboxamide has a molecular weight of 409.34 g/mol, XLogP of 3.70, 2 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[[4-fluoro-3-(trifluoromethyl)phenyl]carbamoyl]-1,3,6-trimethylpyrazolo[3,4-b]pyridine-5-carboxamide is sourced from PubChem (CID 10179668), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).