[3-[3-(2-methoxy-3-pyridinyl)-2H-pyrazolo[3,4-b]pyridin-5-yl]phenyl]-morpholin-4-ylmethanone

C23H21N5O3 — CID 59836038

IUPAC[3-[3-(2-methoxy-3-pyridinyl)-2H-pyrazolo[3,4-b]pyridin-5-yl]phenyl]-morpholin-4-ylmethanone
SMILESCOc1ncccc1-c1[nH]nc2ncc(-c3cccc(C(=O)N4CCOCC4)c3)cc12
InChIInChI=1S/C23H21N5O3/c1-30-22-18(6-3-7-24-22)20-19-13-17(14-25-21(19)27-26-20)15-4-2-5-16(12-15)23(29)28-8-10-31-11-9-28/h2-7,12-14H,8-11H2,1H3,(H,25,26,27)
InChIKeyJEPYIPDIGIEGFN-UHFFFAOYSA-N
MW415.45 g/mol
LogP3.17
Rot. Bonds4

About [3-[3-(2-methoxy-3-pyridinyl)-2H-pyrazolo[3,4-b]pyridin-5-yl]phenyl]-morpholin-4-ylmethanone

[3-[3-(2-methoxy-3-pyridinyl)-2H-pyrazolo[3,4-b]pyridin-5-yl]phenyl]-morpholin-4-ylmethanone (PubChem CID 59836038) has the molecular formula C23H21N5O3 and a molecular weight of 415.45 g/mol. Its IUPAC name is [3-[3-(2-methoxy-3-pyridinyl)-2H-pyrazolo[3,4-b]pyridin-5-yl]phenyl]-morpholin-4-ylmethanone.

Molecular Properties

Compound Name[3-[3-(2-methoxy-3-pyridinyl)-2H-pyrazolo[3,4-b]pyridin-5-yl]phenyl]-morpholin-4-ylmethanone
PubChem CID59836038
Molecular FormulaC23H21N5O3
Molecular Weight415.45 g/mol
Exact Mass415.16
IUPAC Name[3-[3-(2-methoxy-3-pyridinyl)-2H-pyrazolo[3,4-b]pyridin-5-yl]phenyl]-morpholin-4-ylmethanone
SMILESCOc1ncccc1-c1[nH]nc2ncc(-c3cccc(C(=O)N4CCOCC4)c3)cc12
InChIInChI=1S/C23H21N5O3/c1-30-22-18(6-3-7-24-22)20-19-13-17(14-25-21(19)27-26-20)15-4-2-5-16(12-15)23(29)28-8-10-31-11-9-28/h2-7,12-14H,8-11H2,1H3,(H,25,26,27)
InChIKeyJEPYIPDIGIEGFN-UHFFFAOYSA-N
XLogP3.17
TPSA93.23 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms31
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500415.45
LogP ≤ 53.17
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of [3-[3-(2-methoxy-3-pyridinyl)-2H-pyrazolo[3,4-b]pyridin-5-yl]phenyl]-morpholin-4-ylmethanone?
The IUPAC name of [3-[3-(2-methoxy-3-pyridinyl)-2H-pyrazolo[3,4-b]pyridin-5-yl]phenyl]-morpholin-4-ylmethanone (CID 59836038) is [3-[3-(2-methoxy-3-pyridinyl)-2H-pyrazolo[3,4-b]pyridin-5-yl]phenyl]-morpholin-4-ylmethanone.
What is the SMILES notation for [3-[3-(2-methoxy-3-pyridinyl)-2H-pyrazolo[3,4-b]pyridin-5-yl]phenyl]-morpholin-4-ylmethanone?
The canonical SMILES for [3-[3-(2-methoxy-3-pyridinyl)-2H-pyrazolo[3,4-b]pyridin-5-yl]phenyl]-morpholin-4-ylmethanone is COc1ncccc1-c1[nH]nc2ncc(-c3cccc(C(=O)N4CCOCC4)c3)cc12.
What is the InChIKey of [3-[3-(2-methoxy-3-pyridinyl)-2H-pyrazolo[3,4-b]pyridin-5-yl]phenyl]-morpholin-4-ylmethanone?
The InChIKey is JEPYIPDIGIEGFN-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H21N5O3/c1-30-22-18(6-3-7-24-22)20-19-13-17(14-25-21(19)27-26-20)15-4-2-5-16(12-15)23(29)28-8-10-31-11-9-28/h2-7,12-14H,8-11H2,1H3,(H,25,26,27).
What are the key properties of [3-[3-(2-methoxy-3-pyridinyl)-2H-pyrazolo[3,4-b]pyridin-5-yl]phenyl]-morpholin-4-ylmethanone?
[3-[3-(2-methoxy-3-pyridinyl)-2H-pyrazolo[3,4-b]pyridin-5-yl]phenyl]-morpholin-4-ylmethanone has a molecular weight of 415.45 g/mol, XLogP of 3.17, 4 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for [3-[3-(2-methoxy-3-pyridinyl)-2H-pyrazolo[3,4-b]pyridin-5-yl]phenyl]-morpholin-4-ylmethanone is sourced from PubChem (CID 59836038), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).