2-(4-cyclopropylphenyl)-N-[(1R)-1-[1-(2,2,2-trifluoroethyl)pyrazolo[3,4-c]pyridin-5-yl]ethyl]acetamide

C21H21F3N4O — CID 165403185

IUPAC2-(4-cyclopropylphenyl)-N-[(1R)-1-[1-(2,2,2-trifluoroethyl)pyrazolo[3,4-c]pyridin-5-yl]ethyl]acetamide
SMILESC[C@@H](NC(=O)Cc1ccc(C2CC2)cc1)c1cc2cnn(CC(F)(F)F)c2cn1
InChIInChI=1S/C21H21F3N4O/c1-13(27-20(29)8-14-2-4-15(5-3-14)16-6-7-16)18-9-17-10-26-28(12-21(22,23)24)19(17)11-25-18/h2-5,9-11,13,16H,6-8,12H2,1H3,(H,27,29)/t13-/m1/s1
InChIKeyOCTUHRUVJWDLAA-CYBMUJFWSA-N
MW402.42 g/mol
LogP4.29
Rot. Bonds6

About 2-(4-cyclopropylphenyl)-N-[(1R)-1-[1-(2,2,2-trifluoroethyl)pyrazolo[3,4-c]pyridin-5-yl]ethyl]acetamide

2-(4-cyclopropylphenyl)-N-[(1R)-1-[1-(2,2,2-trifluoroethyl)pyrazolo[3,4-c]pyridin-5-yl]ethyl]acetamide (PubChem CID 165403185) has the molecular formula C21H21F3N4O and a molecular weight of 402.42 g/mol. Its IUPAC name is 2-(4-cyclopropylphenyl)-N-[(1R)-1-[1-(2,2,2-trifluoroethyl)pyrazolo[3,4-c]pyridin-5-yl]ethyl]acetamide.

Molecular Properties

Compound Name2-(4-cyclopropylphenyl)-N-[(1R)-1-[1-(2,2,2-trifluoroethyl)pyrazolo[3,4-c]pyridin-5-yl]ethyl]acetamide
PubChem CID165403185
Molecular FormulaC21H21F3N4O
Molecular Weight402.42 g/mol
Exact Mass402.17
IUPAC Name2-(4-cyclopropylphenyl)-N-[(1R)-1-[1-(2,2,2-trifluoroethyl)pyrazolo[3,4-c]pyridin-5-yl]ethyl]acetamide
SMILESC[C@@H](NC(=O)Cc1ccc(C2CC2)cc1)c1cc2cnn(CC(F)(F)F)c2cn1
InChIInChI=1S/C21H21F3N4O/c1-13(27-20(29)8-14-2-4-15(5-3-14)16-6-7-16)18-9-17-10-26-28(12-21(22,23)24)19(17)11-25-18/h2-5,9-11,13,16H,6-8,12H2,1H3,(H,27,29)/t13-/m1/s1
InChIKeyOCTUHRUVJWDLAA-CYBMUJFWSA-N
XLogP4.29
TPSA59.81 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500402.42
LogP ≤ 54.29
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

2-(4-cyclopropylphenyl)-N-[(1R)-1-[1-(4-fluorophenyl)pyrazolo[3,4-c]pyridin-5-yl]ethyl]acetamide
CID 165403140
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
2-[3-chloro-4-(1,1-difluoroethyl)phenyl]-N-[(1R)-1-[1-(2,2,2-trifluoroethyl)pyrazolo[3,4-c]pyridin-5-yl]ethyl]acetamide
CID 165403190
2-(5-cyclopropyl-2-pyridinyl)-N-[[1-(2,2,2-trifluoroethyl)pyrazolo[3,4-c]pyridin-5-yl]methyl]acetamide
CID 165402983
2-[4-(3-cyclopropylindazol-1-yl)phenyl]-N-[(1R)-1-[5-(2,2,2-trifluoroethoxy)-2-pyridinyl]ethyl]acetamide
CID 42610137
tert-butyl-[1-[1-(2,2-difluoropropyl)pyrazolo[3,4-c]pyridin-5-yl]ethylamino]-oxidosulfanium
CID 175594192
2-[4-(1-methylindol-2-yl)phenyl]-N-[(1R)-1-[5-(2,2,2-trifluoroethoxy)-2-pyridinyl]ethyl]acetamide
CID 42610013
2-[4-(3,4-difluorophenyl)phenyl]-N-[(1R)-1-[5-(2,2,2-trifluoroethoxy)-2-pyridinyl]ethyl]acetamide
CID 70311806
2-[4-(3-fluoropyrrolidin-1-yl)phenyl]-N-[(1R)-1-(5-methoxy-2-pyridinyl)ethyl]acetamide
CID 24765015
N-[1-(1-methylpyrazolo[3,4-b]pyridin-5-yl)ethyl]-2-[4-[1-(trifluoromethyl)cyclopropyl]phenyl]acetamide
CID 171720353
5-[(1S,2S)-2-ethylcyclopropyl]-1-(2,2,2-trifluoroethyl)indazole
CID 157034963
2-chloro-N-[1-[5-(2,2,2-trifluoroethoxy)-2-pyridinyl]ethyl]acetamide
CID 118497793

Frequently Asked Questions

What is the IUPAC name of 2-(4-cyclopropylphenyl)-N-[(1R)-1-[1-(2,2,2-trifluoroethyl)pyrazolo[3,4-c]pyridin-5-yl]ethyl]acetamide?
The IUPAC name of 2-(4-cyclopropylphenyl)-N-[(1R)-1-[1-(2,2,2-trifluoroethyl)pyrazolo[3,4-c]pyridin-5-yl]ethyl]acetamide (CID 165403185) is 2-(4-cyclopropylphenyl)-N-[(1R)-1-[1-(2,2,2-trifluoroethyl)pyrazolo[3,4-c]pyridin-5-yl]ethyl]acetamide.
What is the SMILES notation for 2-(4-cyclopropylphenyl)-N-[(1R)-1-[1-(2,2,2-trifluoroethyl)pyrazolo[3,4-c]pyridin-5-yl]ethyl]acetamide?
The canonical SMILES for 2-(4-cyclopropylphenyl)-N-[(1R)-1-[1-(2,2,2-trifluoroethyl)pyrazolo[3,4-c]pyridin-5-yl]ethyl]acetamide is C[C@@H](NC(=O)Cc1ccc(C2CC2)cc1)c1cc2cnn(CC(F)(F)F)c2cn1.
What is the InChIKey of 2-(4-cyclopropylphenyl)-N-[(1R)-1-[1-(2,2,2-trifluoroethyl)pyrazolo[3,4-c]pyridin-5-yl]ethyl]acetamide?
The InChIKey is OCTUHRUVJWDLAA-CYBMUJFWSA-N. The full InChI is InChI=1S/C21H21F3N4O/c1-13(27-20(29)8-14-2-4-15(5-3-14)16-6-7-16)18-9-17-10-26-28(12-21(22,23)24)19(17)11-25-18/h2-5,9-11,13,16H,6-8,12H2,1H3,(H,27,29)/t13-/m1/s1.
What are the key properties of 2-(4-cyclopropylphenyl)-N-[(1R)-1-[1-(2,2,2-trifluoroethyl)pyrazolo[3,4-c]pyridin-5-yl]ethyl]acetamide?
2-(4-cyclopropylphenyl)-N-[(1R)-1-[1-(2,2,2-trifluoroethyl)pyrazolo[3,4-c]pyridin-5-yl]ethyl]acetamide has a molecular weight of 402.42 g/mol, XLogP of 4.29, 6 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(4-cyclopropylphenyl)-N-[(1R)-1-[1-(2,2,2-trifluoroethyl)pyrazolo[3,4-c]pyridin-5-yl]ethyl]acetamide is sourced from PubChem (CID 165403185), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).