N-cyclopropyl-1,3,6-trimethyl-N-[1-[3-(trifluoromethyl)phenyl]ethyl]pyrazolo[3,4-b]pyridine-4-carboxamide

C22H23F3N4O — CID 55593905

IUPACN-cyclopropyl-1,3,6-trimethyl-N-[1-[3-(trifluoromethyl)phenyl]ethyl]pyrazolo[3,4-b]pyridine-4-carboxamide
SMILESCc1cc(C(=O)N(C2CC2)C(C)c2cccc(C(F)(F)F)c2)c2c(C)nn(C)c2n1
InChIInChI=1S/C22H23F3N4O/c1-12-10-18(19-13(2)27-28(4)20(19)26-12)21(30)29(17-8-9-17)14(3)15-6-5-7-16(11-15)22(23,24)25/h5-7,10-11,14,17H,8-9H2,1-4H3
InChIKeyHYOMWQRNAQXTNK-UHFFFAOYSA-N
MW416.45 g/mol
LogP4.97
Rot. Bonds4

About N-cyclopropyl-1,3,6-trimethyl-N-[1-[3-(trifluoromethyl)phenyl]ethyl]pyrazolo[3,4-b]pyridine-4-carboxamide

N-cyclopropyl-1,3,6-trimethyl-N-[1-[3-(trifluoromethyl)phenyl]ethyl]pyrazolo[3,4-b]pyridine-4-carboxamide (PubChem CID 55593905) has the molecular formula C22H23F3N4O and a molecular weight of 416.45 g/mol. Its IUPAC name is N-cyclopropyl-1,3,6-trimethyl-N-[1-[3-(trifluoromethyl)phenyl]ethyl]pyrazolo[3,4-b]pyridine-4-carboxamide.

Molecular Properties

Compound NameN-cyclopropyl-1,3,6-trimethyl-N-[1-[3-(trifluoromethyl)phenyl]ethyl]pyrazolo[3,4-b]pyridine-4-carboxamide
PubChem CID55593905
Molecular FormulaC22H23F3N4O
Molecular Weight416.45 g/mol
Exact Mass416.18
IUPAC NameN-cyclopropyl-1,3,6-trimethyl-N-[1-[3-(trifluoromethyl)phenyl]ethyl]pyrazolo[3,4-b]pyridine-4-carboxamide
SMILESCc1cc(C(=O)N(C2CC2)C(C)c2cccc(C(F)(F)F)c2)c2c(C)nn(C)c2n1
InChIInChI=1S/C22H23F3N4O/c1-12-10-18(19-13(2)27-28(4)20(19)26-12)21(30)29(17-8-9-17)14(3)15-6-5-7-16(11-15)22(23,24)25/h5-7,10-11,14,17H,8-9H2,1-4H3
InChIKeyHYOMWQRNAQXTNK-UHFFFAOYSA-N
XLogP4.97
TPSA51.02 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500416.45
LogP ≤ 54.97
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Related Compounds

[3-(trifluoromethyl)phenyl] 6-cyclopropyl-1,3-dimethylpyrazolo[5,4-b]pyridine-4-carboxylate
CID 71899387
2-[cyclopropyl-[1-[3-(trifluoromethyl)phenyl]ethyl]carbamoyl]cyclopropane-1-carboxylic acid
CID 119181796
N-[1-(4-chlorophenyl)ethyl]-N,1,3,6-tetramethylpyrazolo[3,4-b]pyridine-4-carboxamide
CID 134004012
3-amino-N-cyclopropyl-N-[(1R)-1-[3-(trifluoromethyl)phenyl]ethyl]propanamide
CID 99849482
N-cyclopropyl-N-[(1R)-1-[3-(trifluoromethyl)phenyl]ethyl]-2-[3-(trifluoromethyl)pyrazol-1-yl]acetamide
CID 52573052
N-cyclopropyl-N-[(1S)-1-[3-(trifluoromethyl)phenyl]ethyl]-2-[3-(trifluoromethyl)pyrazol-1-yl]acetamide
CID 52573051
1,3,6-trimethyl-N-[1-[4-(trifluoromethyl)phenyl]propan-2-yl]pyrazolo[3,4-b]pyridine-4-carboxamide
CID 86934701
N-cyclopropyl-N-[1-[3-(trifluoromethyl)phenyl]ethyl]piperidine-4-carboxamide;hydrochloride
CID 119297142
(2S,4S)-N-cyclopropyl-2-methyl-N-[1-[3-(trifluoromethyl)phenyl]ethyl]piperidine-4-carboxamide;hydrochloride
CID 120624126
1,3,6-trimethyl-N-[(2R)-2-phenylpropyl]pyrazolo[3,4-b]pyridine-4-carboxamide
CID 32753002
N-[1-(3-benzamidophenyl)ethyl]-6-cyclopropyl-N,1,3-trimethylpyrazolo[5,4-b]pyridine-4-carboxamide
CID 46514709
N-(1,1-diphenylpropan-2-yl)-1,3,6-trimethylpyrazolo[3,4-b]pyridine-4-carboxamide
CID 55588598

Frequently Asked Questions

What is the IUPAC name of N-cyclopropyl-1,3,6-trimethyl-N-[1-[3-(trifluoromethyl)phenyl]ethyl]pyrazolo[3,4-b]pyridine-4-carboxamide?
The IUPAC name of N-cyclopropyl-1,3,6-trimethyl-N-[1-[3-(trifluoromethyl)phenyl]ethyl]pyrazolo[3,4-b]pyridine-4-carboxamide (CID 55593905) is N-cyclopropyl-1,3,6-trimethyl-N-[1-[3-(trifluoromethyl)phenyl]ethyl]pyrazolo[3,4-b]pyridine-4-carboxamide.
What is the SMILES notation for N-cyclopropyl-1,3,6-trimethyl-N-[1-[3-(trifluoromethyl)phenyl]ethyl]pyrazolo[3,4-b]pyridine-4-carboxamide?
The canonical SMILES for N-cyclopropyl-1,3,6-trimethyl-N-[1-[3-(trifluoromethyl)phenyl]ethyl]pyrazolo[3,4-b]pyridine-4-carboxamide is Cc1cc(C(=O)N(C2CC2)C(C)c2cccc(C(F)(F)F)c2)c2c(C)nn(C)c2n1.
What is the InChIKey of N-cyclopropyl-1,3,6-trimethyl-N-[1-[3-(trifluoromethyl)phenyl]ethyl]pyrazolo[3,4-b]pyridine-4-carboxamide?
The InChIKey is HYOMWQRNAQXTNK-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H23F3N4O/c1-12-10-18(19-13(2)27-28(4)20(19)26-12)21(30)29(17-8-9-17)14(3)15-6-5-7-16(11-15)22(23,24)25/h5-7,10-11,14,17H,8-9H2,1-4H3.
What are the key properties of N-cyclopropyl-1,3,6-trimethyl-N-[1-[3-(trifluoromethyl)phenyl]ethyl]pyrazolo[3,4-b]pyridine-4-carboxamide?
N-cyclopropyl-1,3,6-trimethyl-N-[1-[3-(trifluoromethyl)phenyl]ethyl]pyrazolo[3,4-b]pyridine-4-carboxamide has a molecular weight of 416.45 g/mol, XLogP of 4.97, 4 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-cyclopropyl-1,3,6-trimethyl-N-[1-[3-(trifluoromethyl)phenyl]ethyl]pyrazolo[3,4-b]pyridine-4-carboxamide is sourced from PubChem (CID 55593905), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).