1-(1,3-benzoxazol-2-yl)-3-methyl-4-pyridin-3-yl-5,7-dihydro-4H-pyrazolo[5,4-b]pyridin-6-one

C19H15N5O2 — CID 135964962

IUPAC1-(1,3-benzoxazol-2-yl)-3-methyl-4-pyridin-3-yl-5,7-dihydro-4H-pyrazolo[5,4-b]pyridin-6-one
SMILESCc1nn(-c2nc3ccccc3o2)c2c1C(c1cccnc1)CC(=O)N2
InChIInChI=1S/C19H15N5O2/c1-11-17-13(12-5-4-8-20-10-12)9-16(25)22-18(17)24(23-11)19-21-14-6-2-3-7-15(14)26-19/h2-8,10,13H,9H2,1H3,(H,22,25)
InChIKeyUMZZHBYCHYJZGX-UHFFFAOYSA-N
MW345.36 g/mol
LogP3.19
Rot. Bonds2

About 1-(1,3-benzoxazol-2-yl)-3-methyl-4-pyridin-3-yl-5,7-dihydro-4H-pyrazolo[5,4-b]pyridin-6-one

1-(1,3-benzoxazol-2-yl)-3-methyl-4-pyridin-3-yl-5,7-dihydro-4H-pyrazolo[5,4-b]pyridin-6-one (PubChem CID 135964962) has the molecular formula C19H15N5O2 and a molecular weight of 345.36 g/mol. Its IUPAC name is 1-(1,3-benzoxazol-2-yl)-3-methyl-4-pyridin-3-yl-5,7-dihydro-4H-pyrazolo[5,4-b]pyridin-6-one.

Molecular Properties

Compound Name1-(1,3-benzoxazol-2-yl)-3-methyl-4-pyridin-3-yl-5,7-dihydro-4H-pyrazolo[5,4-b]pyridin-6-one
PubChem CID135964962
Molecular FormulaC19H15N5O2
Molecular Weight345.36 g/mol
Exact Mass345.12
IUPAC Name1-(1,3-benzoxazol-2-yl)-3-methyl-4-pyridin-3-yl-5,7-dihydro-4H-pyrazolo[5,4-b]pyridin-6-one
SMILESCc1nn(-c2nc3ccccc3o2)c2c1C(c1cccnc1)CC(=O)N2
InChIInChI=1S/C19H15N5O2/c1-11-17-13(12-5-4-8-20-10-12)9-16(25)22-18(17)24(23-11)19-21-14-6-2-3-7-15(14)26-19/h2-8,10,13H,9H2,1H3,(H,22,25)
InChIKeyUMZZHBYCHYJZGX-UHFFFAOYSA-N
XLogP3.19
TPSA85.84 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds2
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500345.36
LogP ≤ 53.19
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of 1-(1,3-benzoxazol-2-yl)-3-methyl-4-pyridin-3-yl-5,7-dihydro-4H-pyrazolo[5,4-b]pyridin-6-one?
The IUPAC name of 1-(1,3-benzoxazol-2-yl)-3-methyl-4-pyridin-3-yl-5,7-dihydro-4H-pyrazolo[5,4-b]pyridin-6-one (CID 135964962) is 1-(1,3-benzoxazol-2-yl)-3-methyl-4-pyridin-3-yl-5,7-dihydro-4H-pyrazolo[5,4-b]pyridin-6-one.
What is the SMILES notation for 1-(1,3-benzoxazol-2-yl)-3-methyl-4-pyridin-3-yl-5,7-dihydro-4H-pyrazolo[5,4-b]pyridin-6-one?
The canonical SMILES for 1-(1,3-benzoxazol-2-yl)-3-methyl-4-pyridin-3-yl-5,7-dihydro-4H-pyrazolo[5,4-b]pyridin-6-one is Cc1nn(-c2nc3ccccc3o2)c2c1C(c1cccnc1)CC(=O)N2.
What is the InChIKey of 1-(1,3-benzoxazol-2-yl)-3-methyl-4-pyridin-3-yl-5,7-dihydro-4H-pyrazolo[5,4-b]pyridin-6-one?
The InChIKey is UMZZHBYCHYJZGX-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H15N5O2/c1-11-17-13(12-5-4-8-20-10-12)9-16(25)22-18(17)24(23-11)19-21-14-6-2-3-7-15(14)26-19/h2-8,10,13H,9H2,1H3,(H,22,25).
What are the key properties of 1-(1,3-benzoxazol-2-yl)-3-methyl-4-pyridin-3-yl-5,7-dihydro-4H-pyrazolo[5,4-b]pyridin-6-one?
1-(1,3-benzoxazol-2-yl)-3-methyl-4-pyridin-3-yl-5,7-dihydro-4H-pyrazolo[5,4-b]pyridin-6-one has a molecular weight of 345.36 g/mol, XLogP of 3.19, 2 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(1,3-benzoxazol-2-yl)-3-methyl-4-pyridin-3-yl-5,7-dihydro-4H-pyrazolo[5,4-b]pyridin-6-one is sourced from PubChem (CID 135964962), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).