2-[4-(3-cyclopropyl-2H-pyrazolo[3,4-b]pyridin-5-yl)-2-fluorophenyl]-N-pyridin-3-ylacetamide

C22H18FN5O — CID 166877200

IUPAC2-[4-(3-cyclopropyl-2H-pyrazolo[3,4-b]pyridin-5-yl)-2-fluorophenyl]-N-pyridin-3-ylacetamide
SMILESO=C(Cc1ccc(-c2cnc3n[nH]c(C4CC4)c3c2)cc1F)Nc1cccnc1
InChIInChI=1S/C22H18FN5O/c23-19-9-14(5-6-15(19)10-20(29)26-17-2-1-7-24-12-17)16-8-18-21(13-3-4-13)27-28-22(18)25-11-16/h1-2,5-9,11-13H,3-4,10H2,(H,26,29)(H,25,27,28)
InChIKeyMZHDHCBSSAWWMH-UHFFFAOYSA-N
MW387.42 g/mol
LogP4.22
Rot. Bonds5

About 2-[4-(3-cyclopropyl-2H-pyrazolo[3,4-b]pyridin-5-yl)-2-fluorophenyl]-N-pyridin-3-ylacetamide

2-[4-(3-cyclopropyl-2H-pyrazolo[3,4-b]pyridin-5-yl)-2-fluorophenyl]-N-pyridin-3-ylacetamide (PubChem CID 166877200) has the molecular formula C22H18FN5O and a molecular weight of 387.42 g/mol. Its IUPAC name is 2-[4-(3-cyclopropyl-2H-pyrazolo[3,4-b]pyridin-5-yl)-2-fluorophenyl]-N-pyridin-3-ylacetamide.

Molecular Properties

Compound Name2-[4-(3-cyclopropyl-2H-pyrazolo[3,4-b]pyridin-5-yl)-2-fluorophenyl]-N-pyridin-3-ylacetamide
PubChem CID166877200
Molecular FormulaC22H18FN5O
Molecular Weight387.42 g/mol
Exact Mass387.15
IUPAC Name2-[4-(3-cyclopropyl-2H-pyrazolo[3,4-b]pyridin-5-yl)-2-fluorophenyl]-N-pyridin-3-ylacetamide
SMILESO=C(Cc1ccc(-c2cnc3n[nH]c(C4CC4)c3c2)cc1F)Nc1cccnc1
InChIInChI=1S/C22H18FN5O/c23-19-9-14(5-6-15(19)10-20(29)26-17-2-1-7-24-12-17)16-8-18-21(13-3-4-13)27-28-22(18)25-11-16/h1-2,5-9,11-13H,3-4,10H2,(H,26,29)(H,25,27,28)
InChIKeyMZHDHCBSSAWWMH-UHFFFAOYSA-N
XLogP4.22
TPSA83.56 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500387.42
LogP ≤ 54.22
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

2-(2,4-difluorophenyl)-N-pyridin-3-ylacetamide
CID 110488862
2-(2-fluorophenyl)-N-pyridin-3-ylacetamide
CID 4195275
N-[5-[3-[4-(2-fluorophenyl)-1H-pyrrolo[2,3-b]pyridin-2-yl]-2H-pyrazolo[3,4-b]pyridin-5-yl]-3-pyridinyl]cyclopropanecarboxamide
CID 138604166
2-cyclohexyl-N-[5-[3-[4-(2-fluorophenyl)-1H-pyrrolo[2,3-b]pyridin-2-yl]-2H-pyrazolo[3,4-b]pyridin-5-yl]-3-pyridinyl]acetamide
CID 137116632
N-[5-[3-[4-(2-fluorophenyl)-1H-pyrrolo[2,3-b]pyridin-2-yl]-2H-pyrazolo[3,4-b]pyridin-5-yl]-3-pyridinyl]cyclopentanecarboxamide
CID 138604128
N-[5-[3-(7-pyridin-3-yl-1H-imidazo[4,5-b]pyridin-2-yl)-2H-pyrazolo[3,4-b]pyridin-5-yl]-3-pyridinyl]cyclohexanecarboxamide
CID 137056013
N-(2-cyclopropyl-4-pyridinyl)-2-[2-fluoro-4-[2-[(1-methylpyrazol-4-yl)amino]pyrimidin-5-yl]phenyl]acetamide
CID 130423402
2-cyclohexyl-N-[5-[3-[7-(2-fluorophenyl)-1H-imidazo[4,5-b]pyridin-2-yl]-2H-pyrazolo[3,4-b]pyridin-5-yl]-3-pyridinyl]acetamide
CID 137056778
4-bromo-5-cyclopropyl-N-pyridin-3-yl-1H-pyrazole-3-carboxamide
CID 47080055
N-[5-[7-fluoro-3-(7-pyridin-3-yl-1H-imidazo[4,5-b]pyridin-2-yl)-2H-indazol-5-yl]-3-pyridinyl]cyclopropanecarboxamide
CID 137134319
N-[5-[3-[4-(4-fluorophenyl)-1H-pyrrolo[3,2-c]pyridin-2-yl]-2H-pyrazolo[3,4-b]pyridin-5-yl]-3-pyridinyl]-2-piperidin-4-ylacetamide
CID 137310834
N-[5-[3-(1H-pyrrolo[3,2-c]pyridin-2-yl)-2H-pyrazolo[3,4-b]pyridin-5-yl]-3-pyridinyl]cyclopropanecarboxamide
CID 137145130

Frequently Asked Questions

What is the IUPAC name of 2-[4-(3-cyclopropyl-2H-pyrazolo[3,4-b]pyridin-5-yl)-2-fluorophenyl]-N-pyridin-3-ylacetamide?
The IUPAC name of 2-[4-(3-cyclopropyl-2H-pyrazolo[3,4-b]pyridin-5-yl)-2-fluorophenyl]-N-pyridin-3-ylacetamide (CID 166877200) is 2-[4-(3-cyclopropyl-2H-pyrazolo[3,4-b]pyridin-5-yl)-2-fluorophenyl]-N-pyridin-3-ylacetamide.
What is the SMILES notation for 2-[4-(3-cyclopropyl-2H-pyrazolo[3,4-b]pyridin-5-yl)-2-fluorophenyl]-N-pyridin-3-ylacetamide?
The canonical SMILES for 2-[4-(3-cyclopropyl-2H-pyrazolo[3,4-b]pyridin-5-yl)-2-fluorophenyl]-N-pyridin-3-ylacetamide is O=C(Cc1ccc(-c2cnc3n[nH]c(C4CC4)c3c2)cc1F)Nc1cccnc1.
What is the InChIKey of 2-[4-(3-cyclopropyl-2H-pyrazolo[3,4-b]pyridin-5-yl)-2-fluorophenyl]-N-pyridin-3-ylacetamide?
The InChIKey is MZHDHCBSSAWWMH-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H18FN5O/c23-19-9-14(5-6-15(19)10-20(29)26-17-2-1-7-24-12-17)16-8-18-21(13-3-4-13)27-28-22(18)25-11-16/h1-2,5-9,11-13H,3-4,10H2,(H,26,29)(H,25,27,28).
What are the key properties of 2-[4-(3-cyclopropyl-2H-pyrazolo[3,4-b]pyridin-5-yl)-2-fluorophenyl]-N-pyridin-3-ylacetamide?
2-[4-(3-cyclopropyl-2H-pyrazolo[3,4-b]pyridin-5-yl)-2-fluorophenyl]-N-pyridin-3-ylacetamide has a molecular weight of 387.42 g/mol, XLogP of 4.22, 5 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[4-(3-cyclopropyl-2H-pyrazolo[3,4-b]pyridin-5-yl)-2-fluorophenyl]-N-pyridin-3-ylacetamide is sourced from PubChem (CID 166877200), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).