6-(4,6-dimethoxy-1H-benzimidazol-2-yl)-2-ethyl-7-[methyl(1-pyrimidin-2-ylethyl)amino]-4H-pyrazolo[4,3-b]pyridin-5-one

C24H26N8O3 — CID 138671525

IUPAC6-(4,6-dimethoxy-1H-benzimidazol-2-yl)-2-ethyl-7-[methyl(1-pyrimidin-2-ylethyl)amino]-4H-pyrazolo[4,3-b]pyridin-5-one
SMILESCCn1cc2[nH]c(=O)c(-c3nc4c(OC)cc(OC)cc4[nH]3)c(N(C)C(C)c3ncccn3)c2n1
InChIInChI=1S/C24H26N8O3/c1-6-32-12-16-20(30-32)21(31(3)13(2)22-25-8-7-9-26-22)18(24(33)28-16)23-27-15-10-14(34-4)11-17(35-5)19(15)29-23/h7-13H,6H2,1-5H3,(H,27,29)(H,28,33)
InChIKeyXCBSLSCCICORIZ-UHFFFAOYSA-N
MW474.53 g/mol
LogP3.29
Rot. Bonds7

About 6-(4,6-dimethoxy-1H-benzimidazol-2-yl)-2-ethyl-7-[methyl(1-pyrimidin-2-ylethyl)amino]-4H-pyrazolo[4,3-b]pyridin-5-one

6-(4,6-dimethoxy-1H-benzimidazol-2-yl)-2-ethyl-7-[methyl(1-pyrimidin-2-ylethyl)amino]-4H-pyrazolo[4,3-b]pyridin-5-one (PubChem CID 138671525) has the molecular formula C24H26N8O3 and a molecular weight of 474.53 g/mol. Its IUPAC name is 6-(4,6-dimethoxy-1H-benzimidazol-2-yl)-2-ethyl-7-[methyl(1-pyrimidin-2-ylethyl)amino]-4H-pyrazolo[4,3-b]pyridin-5-one.

Molecular Properties

Compound Name6-(4,6-dimethoxy-1H-benzimidazol-2-yl)-2-ethyl-7-[methyl(1-pyrimidin-2-ylethyl)amino]-4H-pyrazolo[4,3-b]pyridin-5-one
PubChem CID138671525
Molecular FormulaC24H26N8O3
Molecular Weight474.53 g/mol
Exact Mass474.21
IUPAC Name6-(4,6-dimethoxy-1H-benzimidazol-2-yl)-2-ethyl-7-[methyl(1-pyrimidin-2-ylethyl)amino]-4H-pyrazolo[4,3-b]pyridin-5-one
SMILESCCn1cc2[nH]c(=O)c(-c3nc4c(OC)cc(OC)cc4[nH]3)c(N(C)C(C)c3ncccn3)c2n1
InChIInChI=1S/C24H26N8O3/c1-6-32-12-16-20(30-32)21(31(3)13(2)22-25-8-7-9-26-22)18(24(33)28-16)23-27-15-10-14(34-4)11-17(35-5)19(15)29-23/h7-13H,6H2,1-5H3,(H,27,29)(H,28,33)
InChIKeyXCBSLSCCICORIZ-UHFFFAOYSA-N
XLogP3.29
TPSA126.84 Ų
H-Bond Donors2
H-Bond Acceptors9
Rotatable Bonds7
Heavy Atoms35
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500474.53
LogP ≤ 53.29
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 109

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

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Frequently Asked Questions

What is the IUPAC name of 6-(4,6-dimethoxy-1H-benzimidazol-2-yl)-2-ethyl-7-[methyl(1-pyrimidin-2-ylethyl)amino]-4H-pyrazolo[4,3-b]pyridin-5-one?
The IUPAC name of 6-(4,6-dimethoxy-1H-benzimidazol-2-yl)-2-ethyl-7-[methyl(1-pyrimidin-2-ylethyl)amino]-4H-pyrazolo[4,3-b]pyridin-5-one (CID 138671525) is 6-(4,6-dimethoxy-1H-benzimidazol-2-yl)-2-ethyl-7-[methyl(1-pyrimidin-2-ylethyl)amino]-4H-pyrazolo[4,3-b]pyridin-5-one.
What is the SMILES notation for 6-(4,6-dimethoxy-1H-benzimidazol-2-yl)-2-ethyl-7-[methyl(1-pyrimidin-2-ylethyl)amino]-4H-pyrazolo[4,3-b]pyridin-5-one?
The canonical SMILES for 6-(4,6-dimethoxy-1H-benzimidazol-2-yl)-2-ethyl-7-[methyl(1-pyrimidin-2-ylethyl)amino]-4H-pyrazolo[4,3-b]pyridin-5-one is CCn1cc2[nH]c(=O)c(-c3nc4c(OC)cc(OC)cc4[nH]3)c(N(C)C(C)c3ncccn3)c2n1.
What is the InChIKey of 6-(4,6-dimethoxy-1H-benzimidazol-2-yl)-2-ethyl-7-[methyl(1-pyrimidin-2-ylethyl)amino]-4H-pyrazolo[4,3-b]pyridin-5-one?
The InChIKey is XCBSLSCCICORIZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H26N8O3/c1-6-32-12-16-20(30-32)21(31(3)13(2)22-25-8-7-9-26-22)18(24(33)28-16)23-27-15-10-14(34-4)11-17(35-5)19(15)29-23/h7-13H,6H2,1-5H3,(H,27,29)(H,28,33).
What are the key properties of 6-(4,6-dimethoxy-1H-benzimidazol-2-yl)-2-ethyl-7-[methyl(1-pyrimidin-2-ylethyl)amino]-4H-pyrazolo[4,3-b]pyridin-5-one?
6-(4,6-dimethoxy-1H-benzimidazol-2-yl)-2-ethyl-7-[methyl(1-pyrimidin-2-ylethyl)amino]-4H-pyrazolo[4,3-b]pyridin-5-one has a molecular weight of 474.53 g/mol, XLogP of 3.29, 7 rotatable bonds, 2 hydrogen bond donors, and 9 hydrogen bond acceptors.
Where does this data come from?
All data for 6-(4,6-dimethoxy-1H-benzimidazol-2-yl)-2-ethyl-7-[methyl(1-pyrimidin-2-ylethyl)amino]-4H-pyrazolo[4,3-b]pyridin-5-one is sourced from PubChem (CID 138671525), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).