N-[1-(1-methylpyrazolo[3,4-b]pyridin-5-yl)ethyl]-2-[4-[1-(trifluoromethyl)cyclopropyl]phenyl]acetamide

C21H21F3N4O — CID 171720353

IUPACN-[1-(1-methylpyrazolo[3,4-b]pyridin-5-yl)ethyl]-2-[4-[1-(trifluoromethyl)cyclopropyl]phenyl]acetamide
SMILESCC(NC(=O)Cc1ccc(C2(C(F)(F)F)CC2)cc1)c1cnc2c(cnn2C)c1
InChIInChI=1S/C21H21F3N4O/c1-13(15-10-16-12-26-28(2)19(16)25-11-15)27-18(29)9-14-3-5-17(6-4-14)20(7-8-20)21(22,23)24/h3-6,10-13H,7-9H2,1-2H3,(H,27,29)
InChIKeyPIGICCIZGVKABX-UHFFFAOYSA-N
MW402.42 g/mol
LogP3.98
Rot. Bonds5

About N-[1-(1-methylpyrazolo[3,4-b]pyridin-5-yl)ethyl]-2-[4-[1-(trifluoromethyl)cyclopropyl]phenyl]acetamide

N-[1-(1-methylpyrazolo[3,4-b]pyridin-5-yl)ethyl]-2-[4-[1-(trifluoromethyl)cyclopropyl]phenyl]acetamide (PubChem CID 171720353) has the molecular formula C21H21F3N4O and a molecular weight of 402.42 g/mol. Its IUPAC name is N-[1-(1-methylpyrazolo[3,4-b]pyridin-5-yl)ethyl]-2-[4-[1-(trifluoromethyl)cyclopropyl]phenyl]acetamide.

Molecular Properties

Compound NameN-[1-(1-methylpyrazolo[3,4-b]pyridin-5-yl)ethyl]-2-[4-[1-(trifluoromethyl)cyclopropyl]phenyl]acetamide
PubChem CID171720353
Molecular FormulaC21H21F3N4O
Molecular Weight402.42 g/mol
Exact Mass402.17
IUPAC NameN-[1-(1-methylpyrazolo[3,4-b]pyridin-5-yl)ethyl]-2-[4-[1-(trifluoromethyl)cyclopropyl]phenyl]acetamide
SMILESCC(NC(=O)Cc1ccc(C2(C(F)(F)F)CC2)cc1)c1cnc2c(cnn2C)c1
InChIInChI=1S/C21H21F3N4O/c1-13(15-10-16-12-26-28(2)19(16)25-11-15)27-18(29)9-14-3-5-17(6-4-14)20(7-8-20)21(22,23)24/h3-6,10-13H,7-9H2,1-2H3,(H,27,29)
InChIKeyPIGICCIZGVKABX-UHFFFAOYSA-N
XLogP3.98
TPSA59.81 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500402.42
LogP ≤ 53.98
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

N-[(1R)-1-[1-(2,2,2-trifluoroethyl)pyrazolo[3,4-c]pyridin-5-yl]ethyl]-2-[6-[1-(trifluoromethyl)cyclopropyl]-3-pyridinyl]acetamide
CID 165403166
6-oxo-2-pyrimidin-2-yl-N-[1-[4-[1-(trifluoromethyl)cyclopropyl]phenyl]ethyl]-1H-pyrimidine-4-carboxamide
CID 136983137
(1R)-1-(1-methylpyrazolo[3,4-b]pyridin-5-yl)ethanamine
CID 165403100
1-(1-methylpyrazolo[5,4-b]pyridin-5-yl)propan-2-one
CID 83877089
2-(4-cyclopropylphenyl)-N-[(1R)-1-[1-(2,2,2-trifluoroethyl)pyrazolo[3,4-c]pyridin-5-yl]ethyl]acetamide
CID 165403185
N-tert-butyl-1-methylpyrazolo[3,4-b]pyridine-5-carboxamide
CID 166220665
N-[1-(4-methylphenyl)ethyl]-2-(1-methylpyrazolo[5,4-b]pyridin-6-yl)oxyacetamide
CID 67209847
N-(1-pyridin-4-ylethyl)-2-[4-(trifluoromethyl)phenyl]acetamide
CID 51272046
N-[2-[[4-(difluoromethoxy)-3-fluorophenyl]methyl]triazol-4-yl]-2-[4-[1-(trifluoromethyl)cyclopropyl]phenyl]acetamide
CID 118962012
2-(4-fluorophenyl)-N-[1-(4-fluorophenyl)ethyl]acetamide
CID 4878219
N-[(1S)-1-(1-methylpyrazol-4-yl)ethyl]-2-(4-propan-2-ylsulfonylphenyl)acetamide
CID 97347944
2-(4-cyclopropylphenyl)-N-[(1R)-1-[1-(4-fluorophenyl)pyrazolo[3,4-c]pyridin-5-yl]ethyl]acetamide
CID 165403140

Frequently Asked Questions

What is the IUPAC name of N-[1-(1-methylpyrazolo[3,4-b]pyridin-5-yl)ethyl]-2-[4-[1-(trifluoromethyl)cyclopropyl]phenyl]acetamide?
The IUPAC name of N-[1-(1-methylpyrazolo[3,4-b]pyridin-5-yl)ethyl]-2-[4-[1-(trifluoromethyl)cyclopropyl]phenyl]acetamide (CID 171720353) is N-[1-(1-methylpyrazolo[3,4-b]pyridin-5-yl)ethyl]-2-[4-[1-(trifluoromethyl)cyclopropyl]phenyl]acetamide.
What is the SMILES notation for N-[1-(1-methylpyrazolo[3,4-b]pyridin-5-yl)ethyl]-2-[4-[1-(trifluoromethyl)cyclopropyl]phenyl]acetamide?
The canonical SMILES for N-[1-(1-methylpyrazolo[3,4-b]pyridin-5-yl)ethyl]-2-[4-[1-(trifluoromethyl)cyclopropyl]phenyl]acetamide is CC(NC(=O)Cc1ccc(C2(C(F)(F)F)CC2)cc1)c1cnc2c(cnn2C)c1.
What is the InChIKey of N-[1-(1-methylpyrazolo[3,4-b]pyridin-5-yl)ethyl]-2-[4-[1-(trifluoromethyl)cyclopropyl]phenyl]acetamide?
The InChIKey is PIGICCIZGVKABX-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H21F3N4O/c1-13(15-10-16-12-26-28(2)19(16)25-11-15)27-18(29)9-14-3-5-17(6-4-14)20(7-8-20)21(22,23)24/h3-6,10-13H,7-9H2,1-2H3,(H,27,29).
What are the key properties of N-[1-(1-methylpyrazolo[3,4-b]pyridin-5-yl)ethyl]-2-[4-[1-(trifluoromethyl)cyclopropyl]phenyl]acetamide?
N-[1-(1-methylpyrazolo[3,4-b]pyridin-5-yl)ethyl]-2-[4-[1-(trifluoromethyl)cyclopropyl]phenyl]acetamide has a molecular weight of 402.42 g/mol, XLogP of 3.98, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[1-(1-methylpyrazolo[3,4-b]pyridin-5-yl)ethyl]-2-[4-[1-(trifluoromethyl)cyclopropyl]phenyl]acetamide is sourced from PubChem (CID 171720353), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).