2-(6-cyclopropyl-5-fluoro-3-pyridinyl)-N-[(1R)-1-[1-(2,2,2-trifluoroethyl)pyrazolo[3,4-c]pyridin-5-yl]ethyl]acetamide

C20H19F4N5O — CID 165403120

IUPAC2-(6-cyclopropyl-5-fluoro-3-pyridinyl)-N-[(1R)-1-[1-(2,2,2-trifluoroethyl)pyrazolo[3,4-c]pyridin-5-yl]ethyl]acetamide
SMILESC[C@@H](NC(=O)Cc1cnc(C2CC2)c(F)c1)c1cc2cnn(CC(F)(F)F)c2cn1
InChIInChI=1S/C20H19F4N5O/c1-11(16-6-14-8-27-29(10-20(22,23)24)17(14)9-25-16)28-18(30)5-12-4-15(21)19(26-7-12)13-2-3-13/h4,6-9,11,13H,2-3,5,10H2,1H3,(H,28,30)/t11-/m1/s1
InChIKeySFNBHOKUUZJNAO-LLVKDONJSA-N
MW421.40 g/mol
LogP3.83
Rot. Bonds6

About 2-(6-cyclopropyl-5-fluoro-3-pyridinyl)-N-[(1R)-1-[1-(2,2,2-trifluoroethyl)pyrazolo[3,4-c]pyridin-5-yl]ethyl]acetamide

2-(6-cyclopropyl-5-fluoro-3-pyridinyl)-N-[(1R)-1-[1-(2,2,2-trifluoroethyl)pyrazolo[3,4-c]pyridin-5-yl]ethyl]acetamide (PubChem CID 165403120) has the molecular formula C20H19F4N5O and a molecular weight of 421.40 g/mol. Its IUPAC name is 2-(6-cyclopropyl-5-fluoro-3-pyridinyl)-N-[(1R)-1-[1-(2,2,2-trifluoroethyl)pyrazolo[3,4-c]pyridin-5-yl]ethyl]acetamide.

Molecular Properties

Compound Name2-(6-cyclopropyl-5-fluoro-3-pyridinyl)-N-[(1R)-1-[1-(2,2,2-trifluoroethyl)pyrazolo[3,4-c]pyridin-5-yl]ethyl]acetamide
PubChem CID165403120
Molecular FormulaC20H19F4N5O
Molecular Weight421.40 g/mol
Exact Mass421.15
IUPAC Name2-(6-cyclopropyl-5-fluoro-3-pyridinyl)-N-[(1R)-1-[1-(2,2,2-trifluoroethyl)pyrazolo[3,4-c]pyridin-5-yl]ethyl]acetamide
SMILESC[C@@H](NC(=O)Cc1cnc(C2CC2)c(F)c1)c1cc2cnn(CC(F)(F)F)c2cn1
InChIInChI=1S/C20H19F4N5O/c1-11(16-6-14-8-27-29(10-20(22,23)24)17(14)9-25-16)28-18(30)5-12-4-15(21)19(26-7-12)13-2-3-13/h4,6-9,11,13H,2-3,5,10H2,1H3,(H,28,30)/t11-/m1/s1
InChIKeySFNBHOKUUZJNAO-LLVKDONJSA-N
XLogP3.83
TPSA72.70 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500421.40
LogP ≤ 53.83
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 2-(6-cyclopropyl-5-fluoro-3-pyridinyl)-N-[(1R)-1-[1-(2,2,2-trifluoroethyl)pyrazolo[3,4-c]pyridin-5-yl]ethyl]acetamide?
The IUPAC name of 2-(6-cyclopropyl-5-fluoro-3-pyridinyl)-N-[(1R)-1-[1-(2,2,2-trifluoroethyl)pyrazolo[3,4-c]pyridin-5-yl]ethyl]acetamide (CID 165403120) is 2-(6-cyclopropyl-5-fluoro-3-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-(6-cyclopropyl-5-fluoro-3-pyridinyl)-N-[(1R)-1-[1-(2,2,2-trifluoroethyl)pyrazolo[3,4-c]pyridin-5-yl]ethyl]acetamide?
The canonical SMILES for 2-(6-cyclopropyl-5-fluoro-3-pyridinyl)-N-[(1R)-1-[1-(2,2,2-trifluoroethyl)pyrazolo[3,4-c]pyridin-5-yl]ethyl]acetamide is C[C@@H](NC(=O)Cc1cnc(C2CC2)c(F)c1)c1cc2cnn(CC(F)(F)F)c2cn1.
What is the InChIKey of 2-(6-cyclopropyl-5-fluoro-3-pyridinyl)-N-[(1R)-1-[1-(2,2,2-trifluoroethyl)pyrazolo[3,4-c]pyridin-5-yl]ethyl]acetamide?
The InChIKey is SFNBHOKUUZJNAO-LLVKDONJSA-N. The full InChI is InChI=1S/C20H19F4N5O/c1-11(16-6-14-8-27-29(10-20(22,23)24)17(14)9-25-16)28-18(30)5-12-4-15(21)19(26-7-12)13-2-3-13/h4,6-9,11,13H,2-3,5,10H2,1H3,(H,28,30)/t11-/m1/s1.
What are the key properties of 2-(6-cyclopropyl-5-fluoro-3-pyridinyl)-N-[(1R)-1-[1-(2,2,2-trifluoroethyl)pyrazolo[3,4-c]pyridin-5-yl]ethyl]acetamide?
2-(6-cyclopropyl-5-fluoro-3-pyridinyl)-N-[(1R)-1-[1-(2,2,2-trifluoroethyl)pyrazolo[3,4-c]pyridin-5-yl]ethyl]acetamide has a molecular weight of 421.40 g/mol, XLogP of 3.83, 6 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(6-cyclopropyl-5-fluoro-3-pyridinyl)-N-[(1R)-1-[1-(2,2,2-trifluoroethyl)pyrazolo[3,4-c]pyridin-5-yl]ethyl]acetamide is sourced from PubChem (CID 165403120), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).