7-chloro-2-ethyl-6-(6-methoxy-1H-benzimidazol-2-yl)-4-[(4-methoxyphenyl)methyl]pyrazolo[4,3-b]pyridin-5-one

C24H22ClN5O3 — CID 138633811

IUPAC7-chloro-2-ethyl-6-(6-methoxy-1H-benzimidazol-2-yl)-4-[(4-methoxyphenyl)methyl]pyrazolo[4,3-b]pyridin-5-one
SMILESCCn1cc2c(n1)c(Cl)c(-c1nc3ccc(OC)cc3[nH]1)c(=O)n2Cc1ccc(OC)cc1
InChIInChI=1S/C24H22ClN5O3/c1-4-29-13-19-22(28-29)21(25)20(23-26-17-10-9-16(33-3)11-18(17)27-23)24(31)30(19)12-14-5-7-15(32-2)8-6-14/h5-11,13H,4,12H2,1-3H3,(H,26,27)
InChIKeyUWLVDEZRJLOARC-UHFFFAOYSA-N
MW463.93 g/mol
LogP4.48
Rot. Bonds6

About 7-chloro-2-ethyl-6-(6-methoxy-1H-benzimidazol-2-yl)-4-[(4-methoxyphenyl)methyl]pyrazolo[4,3-b]pyridin-5-one

7-chloro-2-ethyl-6-(6-methoxy-1H-benzimidazol-2-yl)-4-[(4-methoxyphenyl)methyl]pyrazolo[4,3-b]pyridin-5-one (PubChem CID 138633811) has the molecular formula C24H22ClN5O3 and a molecular weight of 463.93 g/mol. Its IUPAC name is 7-chloro-2-ethyl-6-(6-methoxy-1H-benzimidazol-2-yl)-4-[(4-methoxyphenyl)methyl]pyrazolo[4,3-b]pyridin-5-one.

Molecular Properties

Compound Name7-chloro-2-ethyl-6-(6-methoxy-1H-benzimidazol-2-yl)-4-[(4-methoxyphenyl)methyl]pyrazolo[4,3-b]pyridin-5-one
PubChem CID138633811
Molecular FormulaC24H22ClN5O3
Molecular Weight463.93 g/mol
Exact Mass463.14
IUPAC Name7-chloro-2-ethyl-6-(6-methoxy-1H-benzimidazol-2-yl)-4-[(4-methoxyphenyl)methyl]pyrazolo[4,3-b]pyridin-5-one
SMILESCCn1cc2c(n1)c(Cl)c(-c1nc3ccc(OC)cc3[nH]1)c(=O)n2Cc1ccc(OC)cc1
InChIInChI=1S/C24H22ClN5O3/c1-4-29-13-19-22(28-29)21(25)20(23-26-17-10-9-16(33-3)11-18(17)27-23)24(31)30(19)12-14-5-7-15(32-2)8-6-14/h5-11,13H,4,12H2,1-3H3,(H,26,27)
InChIKeyUWLVDEZRJLOARC-UHFFFAOYSA-N
XLogP4.48
TPSA86.96 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds6
Heavy Atoms33
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500463.93
LogP ≤ 54.48
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

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Related Compounds

7-chloro-2-ethyl-6-[5-(2-hydroxyethylamino)-6-methyl-1H-benzimidazol-2-yl]-4-[(4-methoxyphenyl)methyl]pyrazolo[4,3-b]pyridin-5-one
CID 167112505
7-chloro-2-ethyl-4-[(4-methoxyphenyl)methyl]-5-oxopyrazolo[4,3-b]pyridine-6-carbaldehyde
CID 138633826
5-amino-4-chloro-3-(6-methoxy-1H-benzimidazol-2-yl)-1-[(4-methoxyphenyl)methyl]-6-(methyliminomethyl)pyridin-2-one
CID 156682981
2-ethyl-4-[(4-methoxyphenyl)methyl]pyrazolo[4,3-b]pyridin-5-one
CID 175843982
N-(3,5-dimethoxyphenyl)-2-[2-ethyl-6-[(4-methoxyphenyl)methyl]-7-oxopyrazolo[4,3-d]pyrimidin-5-yl]sulfanylacetamide
CID 22424342
[3-(1H-benzimidazol-2-yl)-1-[(4-methoxyphenyl)methyl]-6-methyl-2-oxoquinolin-4-yl] trifluoromethanesulfonate;ethane
CID 143048974
2-ethyl-5-methoxyindazole
CID 10856015
3-[(4-chlorophenyl)methyl]-6-methoxy-1H-benzimidazol-2-one
CID 117207544
6-methoxy-3-[(6-methoxy-1H-benzimidazol-2-yl)methyl]quinazolin-4-one
CID 39760818
3-(1H-benzimidazol-2-yl)-1-benzyl-4,6-dichloroquinolin-2-one
CID 15944646
2-[6-[(4-chlorophenyl)methyl]-2-ethyl-7-oxopyrazolo[4,3-d]pyrimidin-5-yl]sulfanyl-N-(3,5-dimethoxyphenyl)acetamide
CID 15988557
2-[2-ethyl-6-[(4-methoxyphenyl)methyl]-7-oxopyrazolo[4,3-d]pyrimidin-5-yl]sulfanyl-N-phenylacetamide
CID 20937459

Frequently Asked Questions

What is the IUPAC name of 7-chloro-2-ethyl-6-(6-methoxy-1H-benzimidazol-2-yl)-4-[(4-methoxyphenyl)methyl]pyrazolo[4,3-b]pyridin-5-one?
The IUPAC name of 7-chloro-2-ethyl-6-(6-methoxy-1H-benzimidazol-2-yl)-4-[(4-methoxyphenyl)methyl]pyrazolo[4,3-b]pyridin-5-one (CID 138633811) is 7-chloro-2-ethyl-6-(6-methoxy-1H-benzimidazol-2-yl)-4-[(4-methoxyphenyl)methyl]pyrazolo[4,3-b]pyridin-5-one.
What is the SMILES notation for 7-chloro-2-ethyl-6-(6-methoxy-1H-benzimidazol-2-yl)-4-[(4-methoxyphenyl)methyl]pyrazolo[4,3-b]pyridin-5-one?
The canonical SMILES for 7-chloro-2-ethyl-6-(6-methoxy-1H-benzimidazol-2-yl)-4-[(4-methoxyphenyl)methyl]pyrazolo[4,3-b]pyridin-5-one is CCn1cc2c(n1)c(Cl)c(-c1nc3ccc(OC)cc3[nH]1)c(=O)n2Cc1ccc(OC)cc1.
What is the InChIKey of 7-chloro-2-ethyl-6-(6-methoxy-1H-benzimidazol-2-yl)-4-[(4-methoxyphenyl)methyl]pyrazolo[4,3-b]pyridin-5-one?
The InChIKey is UWLVDEZRJLOARC-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H22ClN5O3/c1-4-29-13-19-22(28-29)21(25)20(23-26-17-10-9-16(33-3)11-18(17)27-23)24(31)30(19)12-14-5-7-15(32-2)8-6-14/h5-11,13H,4,12H2,1-3H3,(H,26,27).
What are the key properties of 7-chloro-2-ethyl-6-(6-methoxy-1H-benzimidazol-2-yl)-4-[(4-methoxyphenyl)methyl]pyrazolo[4,3-b]pyridin-5-one?
7-chloro-2-ethyl-6-(6-methoxy-1H-benzimidazol-2-yl)-4-[(4-methoxyphenyl)methyl]pyrazolo[4,3-b]pyridin-5-one has a molecular weight of 463.93 g/mol, XLogP of 4.48, 6 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 7-chloro-2-ethyl-6-(6-methoxy-1H-benzimidazol-2-yl)-4-[(4-methoxyphenyl)methyl]pyrazolo[4,3-b]pyridin-5-one is sourced from PubChem (CID 138633811), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).