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5-[(4-ethylanilino)methyl]-3-methyl-1-phenyl-7H-pyrazolo[5,4-b]pyridin-6-one

C22H22N4O — CID 135417990

Data last refreshed: (MolForge compound catalog, from PubChem)

IUPAC5-[(4-ethylanilino)methyl]-3-methyl-1-phenyl-7H-pyrazolo[5,4-b]pyridin-6-one
SMILESCCc1ccc(NCc2cc3c(C)nn(-c4ccccc4)c3[nH]c2=O)cc1
InChIInChI=1S/C22H22N4O/c1-3-16-9-11-18(12-10-16)23-14-17-13-20-15(2)25-26(21(20)24-22(17)27)19-7-5-4-6-8-19/h4-13,23H,3,14H2,1-2H3,(H,24,27)
InChIKeyDMUFLCMUZQWKDU-UHFFFAOYSA-N
MW358.45 g/mol
LogP4.20
Rot. Bonds5

About 5-[(4-ethylanilino)methyl]-3-methyl-1-phenyl-7H-pyrazolo[5,4-b]pyridin-6-one

5-[(4-ethylanilino)methyl]-3-methyl-1-phenyl-7H-pyrazolo[5,4-b]pyridin-6-one (PubChem CID 135417990) has the molecular formula C22H22N4O and a molecular weight of 358.45 g/mol. Its IUPAC name is 5-[(4-ethylanilino)methyl]-3-methyl-1-phenyl-7H-pyrazolo[5,4-b]pyridin-6-one.

Molecular Properties

Compound Name5-[(4-ethylanilino)methyl]-3-methyl-1-phenyl-7H-pyrazolo[5,4-b]pyridin-6-one
PubChem CID135417990
Molecular FormulaC22H22N4O
Molecular Weight358.45 g/mol
Exact Mass358.18
IUPAC Name5-[(4-ethylanilino)methyl]-3-methyl-1-phenyl-7H-pyrazolo[5,4-b]pyridin-6-one
SMILESCCc1ccc(NCc2cc3c(C)nn(-c4ccccc4)c3[nH]c2=O)cc1
InChIInChI=1S/C22H22N4O/c1-3-16-9-11-18(12-10-16)23-14-17-13-20-15(2)25-26(21(20)24-22(17)27)19-7-5-4-6-8-19/h4-13,23H,3,14H2,1-2H3,(H,24,27)
InChIKeyDMUFLCMUZQWKDU-UHFFFAOYSA-N
XLogP4.20
TPSA62.71 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500358.45
LogP ≤ 54.20
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 5-[(4-ethylanilino)methyl]-3-methyl-1-phenyl-7H-pyrazolo[5,4-b]pyridin-6-one?
The IUPAC name of 5-[(4-ethylanilino)methyl]-3-methyl-1-phenyl-7H-pyrazolo[5,4-b]pyridin-6-one (CID 135417990) is 5-[(4-ethylanilino)methyl]-3-methyl-1-phenyl-7H-pyrazolo[5,4-b]pyridin-6-one.
What is the SMILES notation for 5-[(4-ethylanilino)methyl]-3-methyl-1-phenyl-7H-pyrazolo[5,4-b]pyridin-6-one?
The canonical SMILES for 5-[(4-ethylanilino)methyl]-3-methyl-1-phenyl-7H-pyrazolo[5,4-b]pyridin-6-one is CCc1ccc(NCc2cc3c(C)nn(-c4ccccc4)c3[nH]c2=O)cc1.
What is the InChIKey of 5-[(4-ethylanilino)methyl]-3-methyl-1-phenyl-7H-pyrazolo[5,4-b]pyridin-6-one?
The InChIKey is DMUFLCMUZQWKDU-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H22N4O/c1-3-16-9-11-18(12-10-16)23-14-17-13-20-15(2)25-26(21(20)24-22(17)27)19-7-5-4-6-8-19/h4-13,23H,3,14H2,1-2H3,(H,24,27).
What are the key properties of 5-[(4-ethylanilino)methyl]-3-methyl-1-phenyl-7H-pyrazolo[5,4-b]pyridin-6-one?
5-[(4-ethylanilino)methyl]-3-methyl-1-phenyl-7H-pyrazolo[5,4-b]pyridin-6-one has a molecular weight of 358.45 g/mol, XLogP of 4.20, 5 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 5-[(4-ethylanilino)methyl]-3-methyl-1-phenyl-7H-pyrazolo[5,4-b]pyridin-6-one is sourced from PubChem (CID 135417990), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).

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