[1-(furan-2-ylmethyl)-6-phenylpyrazolo[5,4-b]pyridin-4-yl]-(2-methylmorpholin-4-yl)methanone

C23H22N4O3 — CID 46698336

IUPAC[1-(furan-2-ylmethyl)-6-phenylpyrazolo[5,4-b]pyridin-4-yl]-(2-methylmorpholin-4-yl)methanone
SMILESCC1CN(C(=O)c2cc(-c3ccccc3)nc3c2cnn3Cc2ccco2)CCO1
InChIInChI=1S/C23H22N4O3/c1-16-14-26(9-11-29-16)23(28)19-12-21(17-6-3-2-4-7-17)25-22-20(19)13-24-27(22)15-18-8-5-10-30-18/h2-8,10,12-13,16H,9,11,14-15H2,1H3
InChIKeyDWBKUJJVIAYZQB-UHFFFAOYSA-N
MW402.45 g/mol
LogP3.60
Rot. Bonds4

About [1-(furan-2-ylmethyl)-6-phenylpyrazolo[5,4-b]pyridin-4-yl]-(2-methylmorpholin-4-yl)methanone

[1-(furan-2-ylmethyl)-6-phenylpyrazolo[5,4-b]pyridin-4-yl]-(2-methylmorpholin-4-yl)methanone (PubChem CID 46698336) has the molecular formula C23H22N4O3 and a molecular weight of 402.45 g/mol. Its IUPAC name is [1-(furan-2-ylmethyl)-6-phenylpyrazolo[5,4-b]pyridin-4-yl]-(2-methylmorpholin-4-yl)methanone.

Molecular Properties

Compound Name[1-(furan-2-ylmethyl)-6-phenylpyrazolo[5,4-b]pyridin-4-yl]-(2-methylmorpholin-4-yl)methanone
PubChem CID46698336
Molecular FormulaC23H22N4O3
Molecular Weight402.45 g/mol
Exact Mass402.17
IUPAC Name[1-(furan-2-ylmethyl)-6-phenylpyrazolo[5,4-b]pyridin-4-yl]-(2-methylmorpholin-4-yl)methanone
SMILESCC1CN(C(=O)c2cc(-c3ccccc3)nc3c2cnn3Cc2ccco2)CCO1
InChIInChI=1S/C23H22N4O3/c1-16-14-26(9-11-29-16)23(28)19-12-21(17-6-3-2-4-7-17)25-22-20(19)13-24-27(22)15-18-8-5-10-30-18/h2-8,10,12-13,16H,9,11,14-15H2,1H3
InChIKeyDWBKUJJVIAYZQB-UHFFFAOYSA-N
XLogP3.60
TPSA73.39 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500402.45
LogP ≤ 53.60
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of [1-(furan-2-ylmethyl)-6-phenylpyrazolo[5,4-b]pyridin-4-yl]-(2-methylmorpholin-4-yl)methanone?
The IUPAC name of [1-(furan-2-ylmethyl)-6-phenylpyrazolo[5,4-b]pyridin-4-yl]-(2-methylmorpholin-4-yl)methanone (CID 46698336) is [1-(furan-2-ylmethyl)-6-phenylpyrazolo[5,4-b]pyridin-4-yl]-(2-methylmorpholin-4-yl)methanone.
What is the SMILES notation for [1-(furan-2-ylmethyl)-6-phenylpyrazolo[5,4-b]pyridin-4-yl]-(2-methylmorpholin-4-yl)methanone?
The canonical SMILES for [1-(furan-2-ylmethyl)-6-phenylpyrazolo[5,4-b]pyridin-4-yl]-(2-methylmorpholin-4-yl)methanone is CC1CN(C(=O)c2cc(-c3ccccc3)nc3c2cnn3Cc2ccco2)CCO1.
What is the InChIKey of [1-(furan-2-ylmethyl)-6-phenylpyrazolo[5,4-b]pyridin-4-yl]-(2-methylmorpholin-4-yl)methanone?
The InChIKey is DWBKUJJVIAYZQB-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H22N4O3/c1-16-14-26(9-11-29-16)23(28)19-12-21(17-6-3-2-4-7-17)25-22-20(19)13-24-27(22)15-18-8-5-10-30-18/h2-8,10,12-13,16H,9,11,14-15H2,1H3.
What are the key properties of [1-(furan-2-ylmethyl)-6-phenylpyrazolo[5,4-b]pyridin-4-yl]-(2-methylmorpholin-4-yl)methanone?
[1-(furan-2-ylmethyl)-6-phenylpyrazolo[5,4-b]pyridin-4-yl]-(2-methylmorpholin-4-yl)methanone has a molecular weight of 402.45 g/mol, XLogP of 3.60, 4 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for [1-(furan-2-ylmethyl)-6-phenylpyrazolo[5,4-b]pyridin-4-yl]-(2-methylmorpholin-4-yl)methanone is sourced from PubChem (CID 46698336), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).