tert-butyl N-[1-(3,3,3-trifluoropropyl)pyrazolo[3,4-c]pyridin-5-yl]carbamate

C14H17F3N4O2 — CID 162753187

IUPACtert-butyl N-[1-(3,3,3-trifluoropropyl)pyrazolo[3,4-c]pyridin-5-yl]carbamate
SMILESCC(C)(C)OC(=O)Nc1cc2cnn(CCC(F)(F)F)c2cn1
InChIInChI=1S/C14H17F3N4O2/c1-13(2,3)23-12(22)20-11-6-9-7-19-21(10(9)8-18-11)5-4-14(15,16)17/h6-8H,4-5H2,1-3H3,(H,18,20,22)
InChIKeyPOQUBVVEBLMIKX-UHFFFAOYSA-N
MW330.31 g/mol
LogP3.73
Rot. Bonds3

About tert-butyl N-[1-(3,3,3-trifluoropropyl)pyrazolo[3,4-c]pyridin-5-yl]carbamate

tert-butyl N-[1-(3,3,3-trifluoropropyl)pyrazolo[3,4-c]pyridin-5-yl]carbamate (PubChem CID 162753187) has the molecular formula C14H17F3N4O2 and a molecular weight of 330.31 g/mol. Its IUPAC name is tert-butyl N-[1-(3,3,3-trifluoropropyl)pyrazolo[3,4-c]pyridin-5-yl]carbamate.

Molecular Properties

Compound Nametert-butyl N-[1-(3,3,3-trifluoropropyl)pyrazolo[3,4-c]pyridin-5-yl]carbamate
PubChem CID162753187
Molecular FormulaC14H17F3N4O2
Molecular Weight330.31 g/mol
Exact Mass330.13
IUPAC Nametert-butyl N-[1-(3,3,3-trifluoropropyl)pyrazolo[3,4-c]pyridin-5-yl]carbamate
SMILESCC(C)(C)OC(=O)Nc1cc2cnn(CCC(F)(F)F)c2cn1
InChIInChI=1S/C14H17F3N4O2/c1-13(2,3)23-12(22)20-11-6-9-7-19-21(10(9)8-18-11)5-4-14(15,16)17/h6-8H,4-5H2,1-3H3,(H,18,20,22)
InChIKeyPOQUBVVEBLMIKX-UHFFFAOYSA-N
XLogP3.73
TPSA69.04 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500330.31
LogP ≤ 53.73
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Analyze tert-butyl N-[1-(3,3,3-trifluoropropyl)pyrazolo[3,4-c]pyridin-5-yl]carbamate with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

tert-butyl N-(1-acetylpyrazolo[3,4-c]pyridin-5-yl)carbamate
CID 76764456
tert-butyl N-[5-[(2-methylpropan-2-yl)oxycarbonylamino]pyrazin-2-yl]carbamate
CID 11012344
tert-butyl N-(3-bromo-1-ethylpyrrolo[3,2-c]pyridin-6-yl)carbamate
CID 67357244
tert-butyl N-(4,5-dimethyl-2-pyridinyl)carbamate
CID 58477930
tert-butyl N-(4-fluoro-5-formyl-2-pyridinyl)carbamate
CID 142536295
tert-butyl N-(2,3-dihydro-1H-pyrrolo[3,4-c]pyridin-6-yl)carbamate
CID 170899240
5-fluoro-2-[(2-methylpropan-2-yl)oxycarbonylamino]pyridine-4-carboxylic acid
CID 137407913
tert-butyl N-[5-(bromomethyl)pyrazin-2-yl]carbamate;ethane
CID 143167789
1-[5-methyl-2-[(2-methylpropan-2-yl)oxycarbonylamino]-4-pyridinyl]-5-(trifluoromethyl)pyrazole-4-carboxylic acid
CID 146285567
tert-butyl N-[7-methoxy-1-(2,2,2-trifluoroethyl)indazol-6-yl]carbamate
CID 171437031
tert-butyl N-[5-[(2-ethylpyrazol-3-yl)methylamino]-2-pyridinyl]carbamate
CID 103845203
tert-butyl N-[4-[(1S)-2-methoxy-1-(4,4,4-trifluorobutanoylamino)ethyl]-2-pyridinyl]carbamate
CID 171790633

Frequently Asked Questions

What is the IUPAC name of tert-butyl N-[1-(3,3,3-trifluoropropyl)pyrazolo[3,4-c]pyridin-5-yl]carbamate?
The IUPAC name of tert-butyl N-[1-(3,3,3-trifluoropropyl)pyrazolo[3,4-c]pyridin-5-yl]carbamate (CID 162753187) is tert-butyl N-[1-(3,3,3-trifluoropropyl)pyrazolo[3,4-c]pyridin-5-yl]carbamate.
What is the SMILES notation for tert-butyl N-[1-(3,3,3-trifluoropropyl)pyrazolo[3,4-c]pyridin-5-yl]carbamate?
The canonical SMILES for tert-butyl N-[1-(3,3,3-trifluoropropyl)pyrazolo[3,4-c]pyridin-5-yl]carbamate is CC(C)(C)OC(=O)Nc1cc2cnn(CCC(F)(F)F)c2cn1.
What is the InChIKey of tert-butyl N-[1-(3,3,3-trifluoropropyl)pyrazolo[3,4-c]pyridin-5-yl]carbamate?
The InChIKey is POQUBVVEBLMIKX-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H17F3N4O2/c1-13(2,3)23-12(22)20-11-6-9-7-19-21(10(9)8-18-11)5-4-14(15,16)17/h6-8H,4-5H2,1-3H3,(H,18,20,22).
What are the key properties of tert-butyl N-[1-(3,3,3-trifluoropropyl)pyrazolo[3,4-c]pyridin-5-yl]carbamate?
tert-butyl N-[1-(3,3,3-trifluoropropyl)pyrazolo[3,4-c]pyridin-5-yl]carbamate has a molecular weight of 330.31 g/mol, XLogP of 3.73, 3 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for tert-butyl N-[1-(3,3,3-trifluoropropyl)pyrazolo[3,4-c]pyridin-5-yl]carbamate is sourced from PubChem (CID 162753187), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).