N-[4-fluoro-3-(trifluoromethyl)phenyl]-1,3-dimethyl-6-propan-2-yloxypyrazolo[3,4-b]pyridine-5-carboxamide

C19H18F4N4O2 — CID 91204338

IUPACN-[4-fluoro-3-(trifluoromethyl)phenyl]-1,3-dimethyl-6-propan-2-yloxypyrazolo[3,4-b]pyridine-5-carboxamide
SMILESCc1nn(C)c2nc(OC(C)C)c(C(=O)Nc3ccc(F)c(C(F)(F)F)c3)cc12
InChIInChI=1S/C19H18F4N4O2/c1-9(2)29-18-13(8-12-10(3)26-27(4)16(12)25-18)17(28)24-11-5-6-15(20)14(7-11)19(21,22)23/h5-9H,1-4H3,(H,24,28)
InChIKeyPVCPRJUDEAUSKW-UHFFFAOYSA-N
MW410.37 g/mol
LogP4.47
Rot. Bonds4

About N-[4-fluoro-3-(trifluoromethyl)phenyl]-1,3-dimethyl-6-propan-2-yloxypyrazolo[3,4-b]pyridine-5-carboxamide

N-[4-fluoro-3-(trifluoromethyl)phenyl]-1,3-dimethyl-6-propan-2-yloxypyrazolo[3,4-b]pyridine-5-carboxamide (PubChem CID 91204338) has the molecular formula C19H18F4N4O2 and a molecular weight of 410.37 g/mol. Its IUPAC name is N-[4-fluoro-3-(trifluoromethyl)phenyl]-1,3-dimethyl-6-propan-2-yloxypyrazolo[3,4-b]pyridine-5-carboxamide.

Molecular Properties

Compound NameN-[4-fluoro-3-(trifluoromethyl)phenyl]-1,3-dimethyl-6-propan-2-yloxypyrazolo[3,4-b]pyridine-5-carboxamide
PubChem CID91204338
Molecular FormulaC19H18F4N4O2
Molecular Weight410.37 g/mol
Exact Mass410.14
IUPAC NameN-[4-fluoro-3-(trifluoromethyl)phenyl]-1,3-dimethyl-6-propan-2-yloxypyrazolo[3,4-b]pyridine-5-carboxamide
SMILESCc1nn(C)c2nc(OC(C)C)c(C(=O)Nc3ccc(F)c(C(F)(F)F)c3)cc12
InChIInChI=1S/C19H18F4N4O2/c1-9(2)29-18-13(8-12-10(3)26-27(4)16(12)25-18)17(28)24-11-5-6-15(20)14(7-11)19(21,22)23/h5-9H,1-4H3,(H,24,28)
InChIKeyPVCPRJUDEAUSKW-UHFFFAOYSA-N
XLogP4.47
TPSA69.04 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500410.37
LogP ≤ 54.47
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of N-[4-fluoro-3-(trifluoromethyl)phenyl]-1,3-dimethyl-6-propan-2-yloxypyrazolo[3,4-b]pyridine-5-carboxamide?
The IUPAC name of N-[4-fluoro-3-(trifluoromethyl)phenyl]-1,3-dimethyl-6-propan-2-yloxypyrazolo[3,4-b]pyridine-5-carboxamide (CID 91204338) is N-[4-fluoro-3-(trifluoromethyl)phenyl]-1,3-dimethyl-6-propan-2-yloxypyrazolo[3,4-b]pyridine-5-carboxamide.
What is the SMILES notation for N-[4-fluoro-3-(trifluoromethyl)phenyl]-1,3-dimethyl-6-propan-2-yloxypyrazolo[3,4-b]pyridine-5-carboxamide?
The canonical SMILES for N-[4-fluoro-3-(trifluoromethyl)phenyl]-1,3-dimethyl-6-propan-2-yloxypyrazolo[3,4-b]pyridine-5-carboxamide is Cc1nn(C)c2nc(OC(C)C)c(C(=O)Nc3ccc(F)c(C(F)(F)F)c3)cc12.
What is the InChIKey of N-[4-fluoro-3-(trifluoromethyl)phenyl]-1,3-dimethyl-6-propan-2-yloxypyrazolo[3,4-b]pyridine-5-carboxamide?
The InChIKey is PVCPRJUDEAUSKW-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H18F4N4O2/c1-9(2)29-18-13(8-12-10(3)26-27(4)16(12)25-18)17(28)24-11-5-6-15(20)14(7-11)19(21,22)23/h5-9H,1-4H3,(H,24,28).
What are the key properties of N-[4-fluoro-3-(trifluoromethyl)phenyl]-1,3-dimethyl-6-propan-2-yloxypyrazolo[3,4-b]pyridine-5-carboxamide?
N-[4-fluoro-3-(trifluoromethyl)phenyl]-1,3-dimethyl-6-propan-2-yloxypyrazolo[3,4-b]pyridine-5-carboxamide has a molecular weight of 410.37 g/mol, XLogP of 4.47, 4 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[4-fluoro-3-(trifluoromethyl)phenyl]-1,3-dimethyl-6-propan-2-yloxypyrazolo[3,4-b]pyridine-5-carboxamide is sourced from PubChem (CID 91204338), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).