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

C24H22FN5O — CID 165402954

IUPAC2-(6-cyclopropyl-3-pyridinyl)-N-[(1R)-1-[1-(4-fluorophenyl)pyrazolo[3,4-c]pyridin-5-yl]ethyl]acetamide
SMILESC[C@@H](NC(=O)Cc1ccc(C2CC2)nc1)c1cc2cnn(-c3ccc(F)cc3)c2cn1
InChIInChI=1S/C24H22FN5O/c1-15(29-24(31)10-16-2-9-21(26-12-16)17-3-4-17)22-11-18-13-28-30(23(18)14-27-22)20-7-5-19(25)6-8-20/h2,5-9,11-15,17H,3-4,10H2,1H3,(H,29,31)/t15-/m1/s1
InChIKeyJMZOYNYECPIJGX-OAHLLOKOSA-N
MW415.47 g/mol
LogP4.25
Rot. Bonds6

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

2-(6-cyclopropyl-3-pyridinyl)-N-[(1R)-1-[1-(4-fluorophenyl)pyrazolo[3,4-c]pyridin-5-yl]ethyl]acetamide (PubChem CID 165402954) has the molecular formula C24H22FN5O and a molecular weight of 415.47 g/mol. Its IUPAC name is 2-(6-cyclopropyl-3-pyridinyl)-N-[(1R)-1-[1-(4-fluorophenyl)pyrazolo[3,4-c]pyridin-5-yl]ethyl]acetamide.

Molecular Properties

Compound Name2-(6-cyclopropyl-3-pyridinyl)-N-[(1R)-1-[1-(4-fluorophenyl)pyrazolo[3,4-c]pyridin-5-yl]ethyl]acetamide
PubChem CID165402954
Molecular FormulaC24H22FN5O
Molecular Weight415.47 g/mol
Exact Mass415.18
IUPAC Name2-(6-cyclopropyl-3-pyridinyl)-N-[(1R)-1-[1-(4-fluorophenyl)pyrazolo[3,4-c]pyridin-5-yl]ethyl]acetamide
SMILESC[C@@H](NC(=O)Cc1ccc(C2CC2)nc1)c1cc2cnn(-c3ccc(F)cc3)c2cn1
InChIInChI=1S/C24H22FN5O/c1-15(29-24(31)10-16-2-9-21(26-12-16)17-3-4-17)22-11-18-13-28-30(23(18)14-27-22)20-7-5-19(25)6-8-20/h2,5-9,11-15,17H,3-4,10H2,1H3,(H,29,31)/t15-/m1/s1
InChIKeyJMZOYNYECPIJGX-OAHLLOKOSA-N
XLogP4.25
TPSA72.70 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms31
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500415.47
LogP ≤ 54.25
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 2-(6-cyclopropyl-3-pyridinyl)-N-[(1R)-1-[1-(4-fluorophenyl)pyrazolo[3,4-c]pyridin-5-yl]ethyl]acetamide?
The IUPAC name of 2-(6-cyclopropyl-3-pyridinyl)-N-[(1R)-1-[1-(4-fluorophenyl)pyrazolo[3,4-c]pyridin-5-yl]ethyl]acetamide (CID 165402954) is 2-(6-cyclopropyl-3-pyridinyl)-N-[(1R)-1-[1-(4-fluorophenyl)pyrazolo[3,4-c]pyridin-5-yl]ethyl]acetamide.
What is the SMILES notation for 2-(6-cyclopropyl-3-pyridinyl)-N-[(1R)-1-[1-(4-fluorophenyl)pyrazolo[3,4-c]pyridin-5-yl]ethyl]acetamide?
The canonical SMILES for 2-(6-cyclopropyl-3-pyridinyl)-N-[(1R)-1-[1-(4-fluorophenyl)pyrazolo[3,4-c]pyridin-5-yl]ethyl]acetamide is C[C@@H](NC(=O)Cc1ccc(C2CC2)nc1)c1cc2cnn(-c3ccc(F)cc3)c2cn1.
What is the InChIKey of 2-(6-cyclopropyl-3-pyridinyl)-N-[(1R)-1-[1-(4-fluorophenyl)pyrazolo[3,4-c]pyridin-5-yl]ethyl]acetamide?
The InChIKey is JMZOYNYECPIJGX-OAHLLOKOSA-N. The full InChI is InChI=1S/C24H22FN5O/c1-15(29-24(31)10-16-2-9-21(26-12-16)17-3-4-17)22-11-18-13-28-30(23(18)14-27-22)20-7-5-19(25)6-8-20/h2,5-9,11-15,17H,3-4,10H2,1H3,(H,29,31)/t15-/m1/s1.
What are the key properties of 2-(6-cyclopropyl-3-pyridinyl)-N-[(1R)-1-[1-(4-fluorophenyl)pyrazolo[3,4-c]pyridin-5-yl]ethyl]acetamide?
2-(6-cyclopropyl-3-pyridinyl)-N-[(1R)-1-[1-(4-fluorophenyl)pyrazolo[3,4-c]pyridin-5-yl]ethyl]acetamide has a molecular weight of 415.47 g/mol, XLogP of 4.25, 6 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(6-cyclopropyl-3-pyridinyl)-N-[(1R)-1-[1-(4-fluorophenyl)pyrazolo[3,4-c]pyridin-5-yl]ethyl]acetamide is sourced from PubChem (CID 165402954), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).