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

C24H25N5O2 — CID 135417996

IUPAC3-methyl-5-[(4-morpholin-4-ylanilino)methyl]-1-phenyl-7H-pyrazolo[5,4-b]pyridin-6-one
SMILESCc1nn(-c2ccccc2)c2[nH]c(=O)c(CNc3ccc(N4CCOCC4)cc3)cc12
InChIInChI=1S/C24H25N5O2/c1-17-22-15-18(24(30)26-23(22)29(27-17)21-5-3-2-4-6-21)16-25-19-7-9-20(10-8-19)28-11-13-31-14-12-28/h2-10,15,25H,11-14,16H2,1H3,(H,26,30)
InChIKeyWTILLXNBZYCXMS-UHFFFAOYSA-N
MW415.50 g/mol
LogP3.47
Rot. Bonds5

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

3-methyl-5-[(4-morpholin-4-ylanilino)methyl]-1-phenyl-7H-pyrazolo[5,4-b]pyridin-6-one (PubChem CID 135417996) has the molecular formula C24H25N5O2 and a molecular weight of 415.50 g/mol. Its IUPAC name is 3-methyl-5-[(4-morpholin-4-ylanilino)methyl]-1-phenyl-7H-pyrazolo[5,4-b]pyridin-6-one.

Molecular Properties

Compound Name3-methyl-5-[(4-morpholin-4-ylanilino)methyl]-1-phenyl-7H-pyrazolo[5,4-b]pyridin-6-one
PubChem CID135417996
Molecular FormulaC24H25N5O2
Molecular Weight415.50 g/mol
Exact Mass415.20
IUPAC Name3-methyl-5-[(4-morpholin-4-ylanilino)methyl]-1-phenyl-7H-pyrazolo[5,4-b]pyridin-6-one
SMILESCc1nn(-c2ccccc2)c2[nH]c(=O)c(CNc3ccc(N4CCOCC4)cc3)cc12
InChIInChI=1S/C24H25N5O2/c1-17-22-15-18(24(30)26-23(22)29(27-17)21-5-3-2-4-6-21)16-25-19-7-9-20(10-8-19)28-11-13-31-14-12-28/h2-10,15,25H,11-14,16H2,1H3,(H,26,30)
InChIKeyWTILLXNBZYCXMS-UHFFFAOYSA-N
XLogP3.47
TPSA75.18 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms31
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500415.50
LogP ≤ 53.47
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'anil_di_alk_A(478)', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 3-methyl-5-[(4-morpholin-4-ylanilino)methyl]-1-phenyl-7H-pyrazolo[5,4-b]pyridin-6-one?
The IUPAC name of 3-methyl-5-[(4-morpholin-4-ylanilino)methyl]-1-phenyl-7H-pyrazolo[5,4-b]pyridin-6-one (CID 135417996) is 3-methyl-5-[(4-morpholin-4-ylanilino)methyl]-1-phenyl-7H-pyrazolo[5,4-b]pyridin-6-one.
What is the SMILES notation for 3-methyl-5-[(4-morpholin-4-ylanilino)methyl]-1-phenyl-7H-pyrazolo[5,4-b]pyridin-6-one?
The canonical SMILES for 3-methyl-5-[(4-morpholin-4-ylanilino)methyl]-1-phenyl-7H-pyrazolo[5,4-b]pyridin-6-one is Cc1nn(-c2ccccc2)c2[nH]c(=O)c(CNc3ccc(N4CCOCC4)cc3)cc12.
What is the InChIKey of 3-methyl-5-[(4-morpholin-4-ylanilino)methyl]-1-phenyl-7H-pyrazolo[5,4-b]pyridin-6-one?
The InChIKey is WTILLXNBZYCXMS-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H25N5O2/c1-17-22-15-18(24(30)26-23(22)29(27-17)21-5-3-2-4-6-21)16-25-19-7-9-20(10-8-19)28-11-13-31-14-12-28/h2-10,15,25H,11-14,16H2,1H3,(H,26,30).
What are the key properties of 3-methyl-5-[(4-morpholin-4-ylanilino)methyl]-1-phenyl-7H-pyrazolo[5,4-b]pyridin-6-one?
3-methyl-5-[(4-morpholin-4-ylanilino)methyl]-1-phenyl-7H-pyrazolo[5,4-b]pyridin-6-one has a molecular weight of 415.50 g/mol, XLogP of 3.47, 5 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 3-methyl-5-[(4-morpholin-4-ylanilino)methyl]-1-phenyl-7H-pyrazolo[5,4-b]pyridin-6-one is sourced from PubChem (CID 135417996), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).