N-[3-fluoro-4-[(3-methyl-2H-pyrazolo[3,4-b]pyridin-4-yl)oxy]phenyl]-1-methyl-2-oxopyrrolidine-3-carboxamide

C19H18FN5O3 — CID 24875838

IUPACN-[3-fluoro-4-[(3-methyl-2H-pyrazolo[3,4-b]pyridin-4-yl)oxy]phenyl]-1-methyl-2-oxopyrrolidine-3-carboxamide
SMILESCc1[nH]nc2nccc(Oc3ccc(NC(=O)C4CCN(C)C4=O)cc3F)c12
InChIInChI=1S/C19H18FN5O3/c1-10-16-15(5-7-21-17(16)24-23-10)28-14-4-3-11(9-13(14)20)22-18(26)12-6-8-25(2)19(12)27/h3-5,7,9,12H,6,8H2,1-2H3,(H,22,26)(H,21,23,24)
InChIKeyIQEWMAABOBFSHI-UHFFFAOYSA-N
MW383.38 g/mol
LogP2.61
Rot. Bonds4

About N-[3-fluoro-4-[(3-methyl-2H-pyrazolo[3,4-b]pyridin-4-yl)oxy]phenyl]-1-methyl-2-oxopyrrolidine-3-carboxamide

N-[3-fluoro-4-[(3-methyl-2H-pyrazolo[3,4-b]pyridin-4-yl)oxy]phenyl]-1-methyl-2-oxopyrrolidine-3-carboxamide (PubChem CID 24875838) has the molecular formula C19H18FN5O3 and a molecular weight of 383.38 g/mol. Its IUPAC name is N-[3-fluoro-4-[(3-methyl-2H-pyrazolo[3,4-b]pyridin-4-yl)oxy]phenyl]-1-methyl-2-oxopyrrolidine-3-carboxamide.

Molecular Properties

Compound NameN-[3-fluoro-4-[(3-methyl-2H-pyrazolo[3,4-b]pyridin-4-yl)oxy]phenyl]-1-methyl-2-oxopyrrolidine-3-carboxamide
PubChem CID24875838
Molecular FormulaC19H18FN5O3
Molecular Weight383.38 g/mol
Exact Mass383.14
IUPAC NameN-[3-fluoro-4-[(3-methyl-2H-pyrazolo[3,4-b]pyridin-4-yl)oxy]phenyl]-1-methyl-2-oxopyrrolidine-3-carboxamide
SMILESCc1[nH]nc2nccc(Oc3ccc(NC(=O)C4CCN(C)C4=O)cc3F)c12
InChIInChI=1S/C19H18FN5O3/c1-10-16-15(5-7-21-17(16)24-23-10)28-14-4-3-11(9-13(14)20)22-18(26)12-6-8-25(2)19(12)27/h3-5,7,9,12H,6,8H2,1-2H3,(H,22,26)(H,21,23,24)
InChIKeyIQEWMAABOBFSHI-UHFFFAOYSA-N
XLogP2.61
TPSA100.21 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500383.38
LogP ≤ 52.61
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'beta-keto/anhydride', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of N-[3-fluoro-4-[(3-methyl-2H-pyrazolo[3,4-b]pyridin-4-yl)oxy]phenyl]-1-methyl-2-oxopyrrolidine-3-carboxamide?
The IUPAC name of N-[3-fluoro-4-[(3-methyl-2H-pyrazolo[3,4-b]pyridin-4-yl)oxy]phenyl]-1-methyl-2-oxopyrrolidine-3-carboxamide (CID 24875838) is N-[3-fluoro-4-[(3-methyl-2H-pyrazolo[3,4-b]pyridin-4-yl)oxy]phenyl]-1-methyl-2-oxopyrrolidine-3-carboxamide.
What is the SMILES notation for N-[3-fluoro-4-[(3-methyl-2H-pyrazolo[3,4-b]pyridin-4-yl)oxy]phenyl]-1-methyl-2-oxopyrrolidine-3-carboxamide?
The canonical SMILES for N-[3-fluoro-4-[(3-methyl-2H-pyrazolo[3,4-b]pyridin-4-yl)oxy]phenyl]-1-methyl-2-oxopyrrolidine-3-carboxamide is Cc1[nH]nc2nccc(Oc3ccc(NC(=O)C4CCN(C)C4=O)cc3F)c12.
What is the InChIKey of N-[3-fluoro-4-[(3-methyl-2H-pyrazolo[3,4-b]pyridin-4-yl)oxy]phenyl]-1-methyl-2-oxopyrrolidine-3-carboxamide?
The InChIKey is IQEWMAABOBFSHI-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H18FN5O3/c1-10-16-15(5-7-21-17(16)24-23-10)28-14-4-3-11(9-13(14)20)22-18(26)12-6-8-25(2)19(12)27/h3-5,7,9,12H,6,8H2,1-2H3,(H,22,26)(H,21,23,24).
What are the key properties of N-[3-fluoro-4-[(3-methyl-2H-pyrazolo[3,4-b]pyridin-4-yl)oxy]phenyl]-1-methyl-2-oxopyrrolidine-3-carboxamide?
N-[3-fluoro-4-[(3-methyl-2H-pyrazolo[3,4-b]pyridin-4-yl)oxy]phenyl]-1-methyl-2-oxopyrrolidine-3-carboxamide has a molecular weight of 383.38 g/mol, XLogP of 2.61, 4 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[3-fluoro-4-[(3-methyl-2H-pyrazolo[3,4-b]pyridin-4-yl)oxy]phenyl]-1-methyl-2-oxopyrrolidine-3-carboxamide is sourced from PubChem (CID 24875838), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).