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

C19H15FN6O2 — CID 24876761

IUPAC1-[3-fluoro-4-[(3-methyl-2H-pyrazolo[3,4-b]pyridin-4-yl)oxy]phenyl]-3-pyridin-2-ylurea
SMILESCc1[nH]nc2nccc(Oc3ccc(NC(=O)Nc4ccccn4)cc3F)c12
InChIInChI=1S/C19H15FN6O2/c1-11-17-15(7-9-22-18(17)26-25-11)28-14-6-5-12(10-13(14)20)23-19(27)24-16-4-2-3-8-21-16/h2-10H,1H3,(H,22,25,26)(H2,21,23,24,27)
InChIKeyFXUKPCLDNDAEHQ-UHFFFAOYSA-N
MW378.37 g/mol
LogP4.24
Rot. Bonds4

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

1-[3-fluoro-4-[(3-methyl-2H-pyrazolo[3,4-b]pyridin-4-yl)oxy]phenyl]-3-pyridin-2-ylurea (PubChem CID 24876761) has the molecular formula C19H15FN6O2 and a molecular weight of 378.37 g/mol. Its IUPAC name is 1-[3-fluoro-4-[(3-methyl-2H-pyrazolo[3,4-b]pyridin-4-yl)oxy]phenyl]-3-pyridin-2-ylurea.

Molecular Properties

Compound Name1-[3-fluoro-4-[(3-methyl-2H-pyrazolo[3,4-b]pyridin-4-yl)oxy]phenyl]-3-pyridin-2-ylurea
PubChem CID24876761
Molecular FormulaC19H15FN6O2
Molecular Weight378.37 g/mol
Exact Mass378.12
IUPAC Name1-[3-fluoro-4-[(3-methyl-2H-pyrazolo[3,4-b]pyridin-4-yl)oxy]phenyl]-3-pyridin-2-ylurea
SMILESCc1[nH]nc2nccc(Oc3ccc(NC(=O)Nc4ccccn4)cc3F)c12
InChIInChI=1S/C19H15FN6O2/c1-11-17-15(7-9-22-18(17)26-25-11)28-14-6-5-12(10-13(14)20)23-19(27)24-16-4-2-3-8-21-16/h2-10H,1H3,(H,22,25,26)(H2,21,23,24,27)
InChIKeyFXUKPCLDNDAEHQ-UHFFFAOYSA-N
XLogP4.24
TPSA104.82 Ų
H-Bond Donors3
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500378.37
LogP ≤ 54.24
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 1-[3-fluoro-4-[(3-methyl-2H-pyrazolo[3,4-b]pyridin-4-yl)oxy]phenyl]-3-pyridin-2-ylurea?
The IUPAC name of 1-[3-fluoro-4-[(3-methyl-2H-pyrazolo[3,4-b]pyridin-4-yl)oxy]phenyl]-3-pyridin-2-ylurea (CID 24876761) is 1-[3-fluoro-4-[(3-methyl-2H-pyrazolo[3,4-b]pyridin-4-yl)oxy]phenyl]-3-pyridin-2-ylurea.
What is the SMILES notation for 1-[3-fluoro-4-[(3-methyl-2H-pyrazolo[3,4-b]pyridin-4-yl)oxy]phenyl]-3-pyridin-2-ylurea?
The canonical SMILES for 1-[3-fluoro-4-[(3-methyl-2H-pyrazolo[3,4-b]pyridin-4-yl)oxy]phenyl]-3-pyridin-2-ylurea is Cc1[nH]nc2nccc(Oc3ccc(NC(=O)Nc4ccccn4)cc3F)c12.
What is the InChIKey of 1-[3-fluoro-4-[(3-methyl-2H-pyrazolo[3,4-b]pyridin-4-yl)oxy]phenyl]-3-pyridin-2-ylurea?
The InChIKey is FXUKPCLDNDAEHQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H15FN6O2/c1-11-17-15(7-9-22-18(17)26-25-11)28-14-6-5-12(10-13(14)20)23-19(27)24-16-4-2-3-8-21-16/h2-10H,1H3,(H,22,25,26)(H2,21,23,24,27).
What are the key properties of 1-[3-fluoro-4-[(3-methyl-2H-pyrazolo[3,4-b]pyridin-4-yl)oxy]phenyl]-3-pyridin-2-ylurea?
1-[3-fluoro-4-[(3-methyl-2H-pyrazolo[3,4-b]pyridin-4-yl)oxy]phenyl]-3-pyridin-2-ylurea has a molecular weight of 378.37 g/mol, XLogP of 4.24, 4 rotatable bonds, 3 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[3-fluoro-4-[(3-methyl-2H-pyrazolo[3,4-b]pyridin-4-yl)oxy]phenyl]-3-pyridin-2-ylurea is sourced from PubChem (CID 24876761), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).