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

C26H27ClN6O3 — CID 167112505

IUPAC7-chloro-2-ethyl-6-[5-(2-hydroxyethylamino)-6-methyl-1H-benzimidazol-2-yl]-4-[(4-methoxyphenyl)methyl]pyrazolo[4,3-b]pyridin-5-one
SMILESCCn1cc2c(n1)c(Cl)c(-c1nc3cc(NCCO)c(C)cc3[nH]1)c(=O)n2Cc1ccc(OC)cc1
InChIInChI=1S/C26H27ClN6O3/c1-4-32-14-21-24(31-32)23(27)22(26(35)33(21)13-16-5-7-17(36-3)8-6-16)25-29-19-11-15(2)18(28-9-10-34)12-20(19)30-25/h5-8,11-12,14,28,34H,4,9-10,13H2,1-3H3,(H,29,30)
InChIKeyMVXFJTPLHJFSQD-UHFFFAOYSA-N
MW506.99 g/mol
LogP4.18
Rot. Bonds8

About 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

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 (PubChem CID 167112505) has the molecular formula C26H27ClN6O3 and a molecular weight of 506.99 g/mol. Its IUPAC name is 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.

Molecular Properties

Compound Name7-chloro-2-ethyl-6-[5-(2-hydroxyethylamino)-6-methyl-1H-benzimidazol-2-yl]-4-[(4-methoxyphenyl)methyl]pyrazolo[4,3-b]pyridin-5-one
PubChem CID167112505
Molecular FormulaC26H27ClN6O3
Molecular Weight506.99 g/mol
Exact Mass506.18
IUPAC Name7-chloro-2-ethyl-6-[5-(2-hydroxyethylamino)-6-methyl-1H-benzimidazol-2-yl]-4-[(4-methoxyphenyl)methyl]pyrazolo[4,3-b]pyridin-5-one
SMILESCCn1cc2c(n1)c(Cl)c(-c1nc3cc(NCCO)c(C)cc3[nH]1)c(=O)n2Cc1ccc(OC)cc1
InChIInChI=1S/C26H27ClN6O3/c1-4-32-14-21-24(31-32)23(27)22(26(35)33(21)13-16-5-7-17(36-3)8-6-16)25-29-19-11-15(2)18(28-9-10-34)12-20(19)30-25/h5-8,11-12,14,28,34H,4,9-10,13H2,1-3H3,(H,29,30)
InChIKeyMVXFJTPLHJFSQD-UHFFFAOYSA-N
XLogP4.18
TPSA109.99 Ų
H-Bond Donors3
H-Bond Acceptors8
Rotatable Bonds8
Heavy Atoms36
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500506.99
LogP ≤ 54.18
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 108

Analyze 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 with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

7-chloro-2-ethyl-6-(6-methoxy-1H-benzimidazol-2-yl)-4-[(4-methoxyphenyl)methyl]pyrazolo[4,3-b]pyridin-5-one
CID 138633811
7-chloro-2-ethyl-4-[(4-methoxyphenyl)methyl]-5-oxopyrazolo[4,3-b]pyridine-6-carbaldehyde
CID 138633826
N-(2,4-dimethylphenyl)-2-[2-ethyl-6-[(4-methoxyphenyl)methyl]-7-oxopyrazolo[4,3-d]pyrimidin-5-yl]sulfanylacetamide
CID 20937456
2-ethyl-4-[(4-methoxyphenyl)methyl]pyrazolo[4,3-b]pyridin-5-one
CID 175843982
5-amino-4-chloro-3-(6-methoxy-1H-benzimidazol-2-yl)-1-[(4-methoxyphenyl)methyl]-6-(methyliminomethyl)pyridin-2-one
CID 156682981
N-(3,5-dimethoxyphenyl)-2-[2-ethyl-6-[(4-methoxyphenyl)methyl]-7-oxopyrazolo[4,3-d]pyrimidin-5-yl]sulfanylacetamide
CID 22424342
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
[3-(1H-benzimidazol-2-yl)-1-[(4-methoxyphenyl)methyl]-6-methyl-2-oxoquinolin-4-yl] trifluoromethanesulfonate;ethane
CID 143048974
2-[2-ethyl-6-[(4-methylphenyl)methyl]-7-oxopyrazolo[4,3-d]pyrimidin-5-yl]sulfanyl-N-(3-methoxyphenyl)acetamide
CID 20937378
7-chloro-6-(6-ethoxy-5-methoxy-1H-benzimidazol-2-yl)-4-[(4-methoxyphenyl)methyl]-2-methylpyrazolo[4,3-b]pyridin-5-one;7-chloro-6-(6-ethoxy-5-methoxy-1H-benzimidazol-2-yl)-2-methyl-4H-pyrazolo[4,3-b]pyridin-5-one;7-chloro-4-[(4-methoxyphenyl)methyl]-2-methyl-5-oxopyrazolo[4,3-b]pyridine-6-carbaldehyde;4-ethoxy-5-methoxybenzene-1,2-diamine;6-(6-ethoxy-5-methoxy-1H-benzimidazol-2-yl)-2-methyl-7-[[(1S)-1-pyrimidin-2-ylethyl]amino]-4H-pyrazolo[4,3-b]pyridin-5-one;1-ethoxy-2-methoxy-4,5-dinitrobenzene;(1S)-1-pyrimidin-2-ylethanamine;sulfane
CID 157167850
3-(1H-benzimidazol-2-yl)-1-benzyl-4,6-dichloroquinolin-2-one
CID 15944646

Frequently Asked Questions

What is the IUPAC name of 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?
The IUPAC name of 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) is 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.
What is the SMILES notation for 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?
The canonical SMILES for 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 is CCn1cc2c(n1)c(Cl)c(-c1nc3cc(NCCO)c(C)cc3[nH]1)c(=O)n2Cc1ccc(OC)cc1.
What is the InChIKey of 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?
The InChIKey is MVXFJTPLHJFSQD-UHFFFAOYSA-N. The full InChI is InChI=1S/C26H27ClN6O3/c1-4-32-14-21-24(31-32)23(27)22(26(35)33(21)13-16-5-7-17(36-3)8-6-16)25-29-19-11-15(2)18(28-9-10-34)12-20(19)30-25/h5-8,11-12,14,28,34H,4,9-10,13H2,1-3H3,(H,29,30).
What are the key properties of 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?
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 has a molecular weight of 506.99 g/mol, XLogP of 4.18, 8 rotatable bonds, 3 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for 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 is sourced from PubChem (CID 167112505), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).