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

C20H20F3N5O — CID 165403113

IUPAC2-(5-cyclopropyl-2-pyridinyl)-N-[(1R)-1-[1-(2,2,2-trifluoroethyl)pyrazolo[3,4-c]pyridin-5-yl]ethyl]acetamide
SMILESC[C@@H](NC(=O)Cc1ccc(C2CC2)cn1)c1cc2cnn(CC(F)(F)F)c2cn1
InChIInChI=1S/C20H20F3N5O/c1-12(27-19(29)7-16-5-4-14(8-24-16)13-2-3-13)17-6-15-9-26-28(11-20(21,22)23)18(15)10-25-17/h4-6,8-10,12-13H,2-3,7,11H2,1H3,(H,27,29)/t12-/m1/s1
InChIKeyNUGPPXBJEPPDDE-GFCCVEGCSA-N
MW403.41 g/mol
LogP3.69
Rot. Bonds6

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

2-(5-cyclopropyl-2-pyridinyl)-N-[(1R)-1-[1-(2,2,2-trifluoroethyl)pyrazolo[3,4-c]pyridin-5-yl]ethyl]acetamide (PubChem CID 165403113) has the molecular formula C20H20F3N5O and a molecular weight of 403.41 g/mol. Its IUPAC name is 2-(5-cyclopropyl-2-pyridinyl)-N-[(1R)-1-[1-(2,2,2-trifluoroethyl)pyrazolo[3,4-c]pyridin-5-yl]ethyl]acetamide.

Molecular Properties

Compound Name2-(5-cyclopropyl-2-pyridinyl)-N-[(1R)-1-[1-(2,2,2-trifluoroethyl)pyrazolo[3,4-c]pyridin-5-yl]ethyl]acetamide
PubChem CID165403113
Molecular FormulaC20H20F3N5O
Molecular Weight403.41 g/mol
Exact Mass403.16
IUPAC Name2-(5-cyclopropyl-2-pyridinyl)-N-[(1R)-1-[1-(2,2,2-trifluoroethyl)pyrazolo[3,4-c]pyridin-5-yl]ethyl]acetamide
SMILESC[C@@H](NC(=O)Cc1ccc(C2CC2)cn1)c1cc2cnn(CC(F)(F)F)c2cn1
InChIInChI=1S/C20H20F3N5O/c1-12(27-19(29)7-16-5-4-14(8-24-16)13-2-3-13)17-6-15-9-26-28(11-20(21,22)23)18(15)10-25-17/h4-6,8-10,12-13H,2-3,7,11H2,1H3,(H,27,29)/t12-/m1/s1
InChIKeyNUGPPXBJEPPDDE-GFCCVEGCSA-N
XLogP3.69
TPSA72.70 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500403.41
LogP ≤ 53.69
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 2-(5-cyclopropyl-2-pyridinyl)-N-[(1R)-1-[1-(2,2,2-trifluoroethyl)pyrazolo[3,4-c]pyridin-5-yl]ethyl]acetamide?
The IUPAC name of 2-(5-cyclopropyl-2-pyridinyl)-N-[(1R)-1-[1-(2,2,2-trifluoroethyl)pyrazolo[3,4-c]pyridin-5-yl]ethyl]acetamide (CID 165403113) is 2-(5-cyclopropyl-2-pyridinyl)-N-[(1R)-1-[1-(2,2,2-trifluoroethyl)pyrazolo[3,4-c]pyridin-5-yl]ethyl]acetamide.
What is the SMILES notation for 2-(5-cyclopropyl-2-pyridinyl)-N-[(1R)-1-[1-(2,2,2-trifluoroethyl)pyrazolo[3,4-c]pyridin-5-yl]ethyl]acetamide?
The canonical SMILES for 2-(5-cyclopropyl-2-pyridinyl)-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)cn1)c1cc2cnn(CC(F)(F)F)c2cn1.
What is the InChIKey of 2-(5-cyclopropyl-2-pyridinyl)-N-[(1R)-1-[1-(2,2,2-trifluoroethyl)pyrazolo[3,4-c]pyridin-5-yl]ethyl]acetamide?
The InChIKey is NUGPPXBJEPPDDE-GFCCVEGCSA-N. The full InChI is InChI=1S/C20H20F3N5O/c1-12(27-19(29)7-16-5-4-14(8-24-16)13-2-3-13)17-6-15-9-26-28(11-20(21,22)23)18(15)10-25-17/h4-6,8-10,12-13H,2-3,7,11H2,1H3,(H,27,29)/t12-/m1/s1.
What are the key properties of 2-(5-cyclopropyl-2-pyridinyl)-N-[(1R)-1-[1-(2,2,2-trifluoroethyl)pyrazolo[3,4-c]pyridin-5-yl]ethyl]acetamide?
2-(5-cyclopropyl-2-pyridinyl)-N-[(1R)-1-[1-(2,2,2-trifluoroethyl)pyrazolo[3,4-c]pyridin-5-yl]ethyl]acetamide has a molecular weight of 403.41 g/mol, XLogP of 3.69, 6 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(5-cyclopropyl-2-pyridinyl)-N-[(1R)-1-[1-(2,2,2-trifluoroethyl)pyrazolo[3,4-c]pyridin-5-yl]ethyl]acetamide is sourced from PubChem (CID 165403113), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).