3-[2-(2,5-difluorophenyl)pyrrolidin-1-yl]-N-pyridin-2-yl-1H-pyrazolo[5,4-b]pyridine-5-carboxamide

C22H18F2N6O — CID 166876606

IUPAC3-[2-(2,5-difluorophenyl)pyrrolidin-1-yl]-N-pyridin-2-yl-1H-pyrazolo[5,4-b]pyridine-5-carboxamide
SMILESO=C(Nc1ccccn1)c1cnc2[nH]nc(N3CCCC3c3cc(F)ccc3F)c2c1
InChIInChI=1S/C22H18F2N6O/c23-14-6-7-17(24)15(11-14)18-4-3-9-30(18)21-16-10-13(12-26-20(16)28-29-21)22(31)27-19-5-1-2-8-25-19/h1-2,5-8,10-12,18H,3-4,9H2,(H,25,27,31)(H,26,28,29)
InChIKeyAAVCWJLHWXDBBZ-UHFFFAOYSA-N
MW420.42 g/mol
LogP4.22
Rot. Bonds4

About 3-[2-(2,5-difluorophenyl)pyrrolidin-1-yl]-N-pyridin-2-yl-1H-pyrazolo[5,4-b]pyridine-5-carboxamide

3-[2-(2,5-difluorophenyl)pyrrolidin-1-yl]-N-pyridin-2-yl-1H-pyrazolo[5,4-b]pyridine-5-carboxamide (PubChem CID 166876606) has the molecular formula C22H18F2N6O and a molecular weight of 420.42 g/mol. Its IUPAC name is 3-[2-(2,5-difluorophenyl)pyrrolidin-1-yl]-N-pyridin-2-yl-1H-pyrazolo[5,4-b]pyridine-5-carboxamide.

Molecular Properties

Compound Name3-[2-(2,5-difluorophenyl)pyrrolidin-1-yl]-N-pyridin-2-yl-1H-pyrazolo[5,4-b]pyridine-5-carboxamide
PubChem CID166876606
Molecular FormulaC22H18F2N6O
Molecular Weight420.42 g/mol
Exact Mass420.15
IUPAC Name3-[2-(2,5-difluorophenyl)pyrrolidin-1-yl]-N-pyridin-2-yl-1H-pyrazolo[5,4-b]pyridine-5-carboxamide
SMILESO=C(Nc1ccccn1)c1cnc2[nH]nc(N3CCCC3c3cc(F)ccc3F)c2c1
InChIInChI=1S/C22H18F2N6O/c23-14-6-7-17(24)15(11-14)18-4-3-9-30(18)21-16-10-13(12-26-20(16)28-29-21)22(31)27-19-5-1-2-8-25-19/h1-2,5-8,10-12,18H,3-4,9H2,(H,25,27,31)(H,26,28,29)
InChIKeyAAVCWJLHWXDBBZ-UHFFFAOYSA-N
XLogP4.22
TPSA86.80 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms31
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500420.42
LogP ≤ 54.22
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Related Compounds

3-[(2R)-2-(2,5-difluorophenyl)pyrrolidin-1-yl]-N,N-dimethyl-1H-pyrazolo[5,4-b]pyridine-5-carboxamide
CID 146612387
1-[3-[(2R)-2-(2,5-difluorophenyl)pyrrolidin-1-yl]-1H-pyrazolo[5,4-b]pyridin-5-yl]-2-(2-hydroxyethoxy)ethanone
CID 165017268
1-[3-[(2R)-2-(2,5-difluorophenyl)pyrrolidin-1-yl]-1H-pyrazolo[5,4-b]pyridin-5-yl]-3-methylbutan-1-one
CID 165001860
N-[3-[(2R)-2-(2,5-difluorophenyl)pyrrolidin-1-yl]-1H-pyrazolo[5,4-b]pyridin-5-yl]-4-hydroxypiperidine-1-carboxamide
CID 146612368
1-[3-[(2R)-2-(2,5-difluorophenyl)pyrrolidin-1-yl]-1H-pyrazolo[5,4-b]pyridin-5-yl]-2-[6-(3-hydroxypyrrolidin-1-yl)-3-pyridinyl]ethanone
CID 165094075
(3S)-N-[3-[2-(2,5-difluorophenyl)pyrrolidin-1-yl]-1H-pyrazolo[5,4-b]pyridin-5-yl]-3-hydroxypyrrolidine-1-sulfinamide
CID 146611981
N-[3-[(2R)-2-(2,5-difluorophenyl)pyrrolidin-1-yl]-1H-pyrazolo[5,4-b]pyridin-5-yl]-3-[(dimethylamino)methyl]-4-hydroxypyrrolidine-1-carboxamide
CID 146612385
3-[(2R,4S)-2-(2,5-difluorophenyl)-4-fluoropyrrolidin-1-yl]-1H-pyrazolo[5,4-b]pyridine-5-carboxamide
CID 146612014
3-[(2R)-2-(5-fluoro-2-methoxy-3-pyridinyl)pyrrolidin-1-yl]-1H-pyrazolo[5,4-b]pyridine-5-carboxamide
CID 146612383
1-[(5R)-5-(2,5-difluorophenyl)-1-[5-[(3S)-3-hydroxypyrrolidine-1-carbonyl]-1H-pyrazolo[5,4-b]pyridin-3-yl]pyrrolidin-3-yl]-3-[(2R)-2-(2,5-difluorophenyl)pyrrolidin-1-yl]-N,N-dimethylpyrazolo[5,4-b]pyridine-5-carboxamide
CID 167057717
N-[5-[(2R)-2-(2,5-difluorophenyl)pyrrolidin-1-yl]pyrazolo[1,5-a]pyrimidin-3-yl]pyridine-2-carboxamide
CID 45273880
N-[5-[2-(2,5-difluorophenyl)pyrrolidin-1-yl]pyrazolo[1,5-a]pyrimidin-3-yl]-3-methylpyridine-2-carboxamide
CID 67330537

Frequently Asked Questions

What is the IUPAC name of 3-[2-(2,5-difluorophenyl)pyrrolidin-1-yl]-N-pyridin-2-yl-1H-pyrazolo[5,4-b]pyridine-5-carboxamide?
The IUPAC name of 3-[2-(2,5-difluorophenyl)pyrrolidin-1-yl]-N-pyridin-2-yl-1H-pyrazolo[5,4-b]pyridine-5-carboxamide (CID 166876606) is 3-[2-(2,5-difluorophenyl)pyrrolidin-1-yl]-N-pyridin-2-yl-1H-pyrazolo[5,4-b]pyridine-5-carboxamide.
What is the SMILES notation for 3-[2-(2,5-difluorophenyl)pyrrolidin-1-yl]-N-pyridin-2-yl-1H-pyrazolo[5,4-b]pyridine-5-carboxamide?
The canonical SMILES for 3-[2-(2,5-difluorophenyl)pyrrolidin-1-yl]-N-pyridin-2-yl-1H-pyrazolo[5,4-b]pyridine-5-carboxamide is O=C(Nc1ccccn1)c1cnc2[nH]nc(N3CCCC3c3cc(F)ccc3F)c2c1.
What is the InChIKey of 3-[2-(2,5-difluorophenyl)pyrrolidin-1-yl]-N-pyridin-2-yl-1H-pyrazolo[5,4-b]pyridine-5-carboxamide?
The InChIKey is AAVCWJLHWXDBBZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H18F2N6O/c23-14-6-7-17(24)15(11-14)18-4-3-9-30(18)21-16-10-13(12-26-20(16)28-29-21)22(31)27-19-5-1-2-8-25-19/h1-2,5-8,10-12,18H,3-4,9H2,(H,25,27,31)(H,26,28,29).
What are the key properties of 3-[2-(2,5-difluorophenyl)pyrrolidin-1-yl]-N-pyridin-2-yl-1H-pyrazolo[5,4-b]pyridine-5-carboxamide?
3-[2-(2,5-difluorophenyl)pyrrolidin-1-yl]-N-pyridin-2-yl-1H-pyrazolo[5,4-b]pyridine-5-carboxamide has a molecular weight of 420.42 g/mol, XLogP of 4.22, 4 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[2-(2,5-difluorophenyl)pyrrolidin-1-yl]-N-pyridin-2-yl-1H-pyrazolo[5,4-b]pyridine-5-carboxamide is sourced from PubChem (CID 166876606), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).