[3-[3-(2-fluoro-6-methoxyphenyl)-2H-pyrazolo[3,4-b]pyridin-5-yl]phenyl]-morpholin-4-ylmethanone

C24H21FN4O3 — CID 59836158

IUPAC[3-[3-(2-fluoro-6-methoxyphenyl)-2H-pyrazolo[3,4-b]pyridin-5-yl]phenyl]-morpholin-4-ylmethanone
SMILESCOc1cccc(F)c1-c1[nH]nc2ncc(-c3cccc(C(=O)N4CCOCC4)c3)cc12
InChIInChI=1S/C24H21FN4O3/c1-31-20-7-3-6-19(25)21(20)22-18-13-17(14-26-23(18)28-27-22)15-4-2-5-16(12-15)24(30)29-8-10-32-11-9-29/h2-7,12-14H,8-11H2,1H3,(H,26,27,28)
InChIKeyKZALYMPGKXIAAW-UHFFFAOYSA-N
MW432.46 g/mol
LogP3.91
Rot. Bonds4

About [3-[3-(2-fluoro-6-methoxyphenyl)-2H-pyrazolo[3,4-b]pyridin-5-yl]phenyl]-morpholin-4-ylmethanone

[3-[3-(2-fluoro-6-methoxyphenyl)-2H-pyrazolo[3,4-b]pyridin-5-yl]phenyl]-morpholin-4-ylmethanone (PubChem CID 59836158) has the molecular formula C24H21FN4O3 and a molecular weight of 432.46 g/mol. Its IUPAC name is [3-[3-(2-fluoro-6-methoxyphenyl)-2H-pyrazolo[3,4-b]pyridin-5-yl]phenyl]-morpholin-4-ylmethanone.

Molecular Properties

Compound Name[3-[3-(2-fluoro-6-methoxyphenyl)-2H-pyrazolo[3,4-b]pyridin-5-yl]phenyl]-morpholin-4-ylmethanone
PubChem CID59836158
Molecular FormulaC24H21FN4O3
Molecular Weight432.46 g/mol
Exact Mass432.16
IUPAC Name[3-[3-(2-fluoro-6-methoxyphenyl)-2H-pyrazolo[3,4-b]pyridin-5-yl]phenyl]-morpholin-4-ylmethanone
SMILESCOc1cccc(F)c1-c1[nH]nc2ncc(-c3cccc(C(=O)N4CCOCC4)c3)cc12
InChIInChI=1S/C24H21FN4O3/c1-31-20-7-3-6-19(25)21(20)22-18-13-17(14-26-23(18)28-27-22)15-4-2-5-16(12-15)24(30)29-8-10-32-11-9-29/h2-7,12-14H,8-11H2,1H3,(H,26,27,28)
InChIKeyKZALYMPGKXIAAW-UHFFFAOYSA-N
XLogP3.91
TPSA80.34 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms32
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500432.46
LogP ≤ 53.91
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of [3-[3-(2-fluoro-6-methoxyphenyl)-2H-pyrazolo[3,4-b]pyridin-5-yl]phenyl]-morpholin-4-ylmethanone?
The IUPAC name of [3-[3-(2-fluoro-6-methoxyphenyl)-2H-pyrazolo[3,4-b]pyridin-5-yl]phenyl]-morpholin-4-ylmethanone (CID 59836158) is [3-[3-(2-fluoro-6-methoxyphenyl)-2H-pyrazolo[3,4-b]pyridin-5-yl]phenyl]-morpholin-4-ylmethanone.
What is the SMILES notation for [3-[3-(2-fluoro-6-methoxyphenyl)-2H-pyrazolo[3,4-b]pyridin-5-yl]phenyl]-morpholin-4-ylmethanone?
The canonical SMILES for [3-[3-(2-fluoro-6-methoxyphenyl)-2H-pyrazolo[3,4-b]pyridin-5-yl]phenyl]-morpholin-4-ylmethanone is COc1cccc(F)c1-c1[nH]nc2ncc(-c3cccc(C(=O)N4CCOCC4)c3)cc12.
What is the InChIKey of [3-[3-(2-fluoro-6-methoxyphenyl)-2H-pyrazolo[3,4-b]pyridin-5-yl]phenyl]-morpholin-4-ylmethanone?
The InChIKey is KZALYMPGKXIAAW-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H21FN4O3/c1-31-20-7-3-6-19(25)21(20)22-18-13-17(14-26-23(18)28-27-22)15-4-2-5-16(12-15)24(30)29-8-10-32-11-9-29/h2-7,12-14H,8-11H2,1H3,(H,26,27,28).
What are the key properties of [3-[3-(2-fluoro-6-methoxyphenyl)-2H-pyrazolo[3,4-b]pyridin-5-yl]phenyl]-morpholin-4-ylmethanone?
[3-[3-(2-fluoro-6-methoxyphenyl)-2H-pyrazolo[3,4-b]pyridin-5-yl]phenyl]-morpholin-4-ylmethanone has a molecular weight of 432.46 g/mol, XLogP of 3.91, 4 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for [3-[3-(2-fluoro-6-methoxyphenyl)-2H-pyrazolo[3,4-b]pyridin-5-yl]phenyl]-morpholin-4-ylmethanone is sourced from PubChem (CID 59836158), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).