3-methyl-5-[(oxolan-2-ylmethylamino)methyl]-1-phenyl-7H-pyrazolo[5,4-b]pyridin-6-one

C19H22N4O2 — CID 135417981

IUPAC3-methyl-5-[(oxolan-2-ylmethylamino)methyl]-1-phenyl-7H-pyrazolo[5,4-b]pyridin-6-one
SMILESCc1nn(-c2ccccc2)c2[nH]c(=O)c(CNCC3CCCO3)cc12
InChIInChI=1S/C19H22N4O2/c1-13-17-10-14(11-20-12-16-8-5-9-25-16)19(24)21-18(17)23(22-13)15-6-3-2-4-7-15/h2-4,6-7,10,16,20H,5,8-9,11-12H2,1H3,(H,21,24)
InChIKeyARMAKTDXVGGRQV-UHFFFAOYSA-N
MW338.41 g/mol
LogP2.29
Rot. Bonds5

About 3-methyl-5-[(oxolan-2-ylmethylamino)methyl]-1-phenyl-7H-pyrazolo[5,4-b]pyridin-6-one

3-methyl-5-[(oxolan-2-ylmethylamino)methyl]-1-phenyl-7H-pyrazolo[5,4-b]pyridin-6-one (PubChem CID 135417981) has the molecular formula C19H22N4O2 and a molecular weight of 338.41 g/mol. Its IUPAC name is 3-methyl-5-[(oxolan-2-ylmethylamino)methyl]-1-phenyl-7H-pyrazolo[5,4-b]pyridin-6-one.

Molecular Properties

Compound Name3-methyl-5-[(oxolan-2-ylmethylamino)methyl]-1-phenyl-7H-pyrazolo[5,4-b]pyridin-6-one
PubChem CID135417981
Molecular FormulaC19H22N4O2
Molecular Weight338.41 g/mol
Exact Mass338.17
IUPAC Name3-methyl-5-[(oxolan-2-ylmethylamino)methyl]-1-phenyl-7H-pyrazolo[5,4-b]pyridin-6-one
SMILESCc1nn(-c2ccccc2)c2[nH]c(=O)c(CNCC3CCCO3)cc12
InChIInChI=1S/C19H22N4O2/c1-13-17-10-14(11-20-12-16-8-5-9-25-16)19(24)21-18(17)23(22-13)15-6-3-2-4-7-15/h2-4,6-7,10,16,20H,5,8-9,11-12H2,1H3,(H,21,24)
InChIKeyARMAKTDXVGGRQV-UHFFFAOYSA-N
XLogP2.29
TPSA71.94 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500338.41
LogP ≤ 52.29
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 3-methyl-5-[(oxolan-2-ylmethylamino)methyl]-1-phenyl-7H-pyrazolo[5,4-b]pyridin-6-one?
The IUPAC name of 3-methyl-5-[(oxolan-2-ylmethylamino)methyl]-1-phenyl-7H-pyrazolo[5,4-b]pyridin-6-one (CID 135417981) is 3-methyl-5-[(oxolan-2-ylmethylamino)methyl]-1-phenyl-7H-pyrazolo[5,4-b]pyridin-6-one.
What is the SMILES notation for 3-methyl-5-[(oxolan-2-ylmethylamino)methyl]-1-phenyl-7H-pyrazolo[5,4-b]pyridin-6-one?
The canonical SMILES for 3-methyl-5-[(oxolan-2-ylmethylamino)methyl]-1-phenyl-7H-pyrazolo[5,4-b]pyridin-6-one is Cc1nn(-c2ccccc2)c2[nH]c(=O)c(CNCC3CCCO3)cc12.
What is the InChIKey of 3-methyl-5-[(oxolan-2-ylmethylamino)methyl]-1-phenyl-7H-pyrazolo[5,4-b]pyridin-6-one?
The InChIKey is ARMAKTDXVGGRQV-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H22N4O2/c1-13-17-10-14(11-20-12-16-8-5-9-25-16)19(24)21-18(17)23(22-13)15-6-3-2-4-7-15/h2-4,6-7,10,16,20H,5,8-9,11-12H2,1H3,(H,21,24).
What are the key properties of 3-methyl-5-[(oxolan-2-ylmethylamino)methyl]-1-phenyl-7H-pyrazolo[5,4-b]pyridin-6-one?
3-methyl-5-[(oxolan-2-ylmethylamino)methyl]-1-phenyl-7H-pyrazolo[5,4-b]pyridin-6-one has a molecular weight of 338.41 g/mol, XLogP of 2.29, 5 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 3-methyl-5-[(oxolan-2-ylmethylamino)methyl]-1-phenyl-7H-pyrazolo[5,4-b]pyridin-6-one is sourced from PubChem (CID 135417981), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).