6-(5,6-dimethoxy-1H-benzimidazol-2-yl)-2-ethyl-7-[1-(1,3-oxazol-4-yl)ethylamino]-4H-pyrazolo[4,3-b]pyridin-5-one

C22H23N7O4 — CID 138633798

IUPAC6-(5,6-dimethoxy-1H-benzimidazol-2-yl)-2-ethyl-7-[1-(1,3-oxazol-4-yl)ethylamino]-4H-pyrazolo[4,3-b]pyridin-5-one
SMILESCCn1cc2[nH]c(=O)c(-c3nc4cc(OC)c(OC)cc4[nH]3)c(NC(C)c3cocn3)c2n1
InChIInChI=1S/C22H23N7O4/c1-5-29-8-14-19(28-29)20(24-11(2)15-9-33-10-23-15)18(22(30)27-14)21-25-12-6-16(31-3)17(32-4)7-13(12)26-21/h6-11,24H,5H2,1-4H3,(H,25,26)(H,27,30)
InChIKeyVRDWWLRUEMBPCR-UHFFFAOYSA-N
MW449.47 g/mol
LogP3.47
Rot. Bonds7

About 6-(5,6-dimethoxy-1H-benzimidazol-2-yl)-2-ethyl-7-[1-(1,3-oxazol-4-yl)ethylamino]-4H-pyrazolo[4,3-b]pyridin-5-one

6-(5,6-dimethoxy-1H-benzimidazol-2-yl)-2-ethyl-7-[1-(1,3-oxazol-4-yl)ethylamino]-4H-pyrazolo[4,3-b]pyridin-5-one (PubChem CID 138633798) has the molecular formula C22H23N7O4 and a molecular weight of 449.47 g/mol. Its IUPAC name is 6-(5,6-dimethoxy-1H-benzimidazol-2-yl)-2-ethyl-7-[1-(1,3-oxazol-4-yl)ethylamino]-4H-pyrazolo[4,3-b]pyridin-5-one.

Molecular Properties

Compound Name6-(5,6-dimethoxy-1H-benzimidazol-2-yl)-2-ethyl-7-[1-(1,3-oxazol-4-yl)ethylamino]-4H-pyrazolo[4,3-b]pyridin-5-one
PubChem CID138633798
Molecular FormulaC22H23N7O4
Molecular Weight449.47 g/mol
Exact Mass449.18
IUPAC Name6-(5,6-dimethoxy-1H-benzimidazol-2-yl)-2-ethyl-7-[1-(1,3-oxazol-4-yl)ethylamino]-4H-pyrazolo[4,3-b]pyridin-5-one
SMILESCCn1cc2[nH]c(=O)c(-c3nc4cc(OC)c(OC)cc4[nH]3)c(NC(C)c3cocn3)c2n1
InChIInChI=1S/C22H23N7O4/c1-5-29-8-14-19(28-29)20(24-11(2)15-9-33-10-23-15)18(22(30)27-14)21-25-12-6-16(31-3)17(32-4)7-13(12)26-21/h6-11,24H,5H2,1-4H3,(H,25,26)(H,27,30)
InChIKeyVRDWWLRUEMBPCR-UHFFFAOYSA-N
XLogP3.47
TPSA135.88 Ų
H-Bond Donors3
H-Bond Acceptors9
Rotatable Bonds7
Heavy Atoms33
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500449.47
LogP ≤ 53.47
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 109

Analyze 6-(5,6-dimethoxy-1H-benzimidazol-2-yl)-2-ethyl-7-[1-(1,3-oxazol-4-yl)ethylamino]-4H-pyrazolo[4,3-b]pyridin-5-one with MolForge

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Frequently Asked Questions

What is the IUPAC name of 6-(5,6-dimethoxy-1H-benzimidazol-2-yl)-2-ethyl-7-[1-(1,3-oxazol-4-yl)ethylamino]-4H-pyrazolo[4,3-b]pyridin-5-one?
The IUPAC name of 6-(5,6-dimethoxy-1H-benzimidazol-2-yl)-2-ethyl-7-[1-(1,3-oxazol-4-yl)ethylamino]-4H-pyrazolo[4,3-b]pyridin-5-one (CID 138633798) is 6-(5,6-dimethoxy-1H-benzimidazol-2-yl)-2-ethyl-7-[1-(1,3-oxazol-4-yl)ethylamino]-4H-pyrazolo[4,3-b]pyridin-5-one.
What is the SMILES notation for 6-(5,6-dimethoxy-1H-benzimidazol-2-yl)-2-ethyl-7-[1-(1,3-oxazol-4-yl)ethylamino]-4H-pyrazolo[4,3-b]pyridin-5-one?
The canonical SMILES for 6-(5,6-dimethoxy-1H-benzimidazol-2-yl)-2-ethyl-7-[1-(1,3-oxazol-4-yl)ethylamino]-4H-pyrazolo[4,3-b]pyridin-5-one is CCn1cc2[nH]c(=O)c(-c3nc4cc(OC)c(OC)cc4[nH]3)c(NC(C)c3cocn3)c2n1.
What is the InChIKey of 6-(5,6-dimethoxy-1H-benzimidazol-2-yl)-2-ethyl-7-[1-(1,3-oxazol-4-yl)ethylamino]-4H-pyrazolo[4,3-b]pyridin-5-one?
The InChIKey is VRDWWLRUEMBPCR-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H23N7O4/c1-5-29-8-14-19(28-29)20(24-11(2)15-9-33-10-23-15)18(22(30)27-14)21-25-12-6-16(31-3)17(32-4)7-13(12)26-21/h6-11,24H,5H2,1-4H3,(H,25,26)(H,27,30).
What are the key properties of 6-(5,6-dimethoxy-1H-benzimidazol-2-yl)-2-ethyl-7-[1-(1,3-oxazol-4-yl)ethylamino]-4H-pyrazolo[4,3-b]pyridin-5-one?
6-(5,6-dimethoxy-1H-benzimidazol-2-yl)-2-ethyl-7-[1-(1,3-oxazol-4-yl)ethylamino]-4H-pyrazolo[4,3-b]pyridin-5-one has a molecular weight of 449.47 g/mol, XLogP of 3.47, 7 rotatable bonds, 3 hydrogen bond donors, and 9 hydrogen bond acceptors.
Where does this data come from?
All data for 6-(5,6-dimethoxy-1H-benzimidazol-2-yl)-2-ethyl-7-[1-(1,3-oxazol-4-yl)ethylamino]-4H-pyrazolo[4,3-b]pyridin-5-one is sourced from PubChem (CID 138633798), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).