N-benzyl-5-[(2-chloro-3,4-dimethoxyphenyl)methyl]-1-(2-hydroxyethyl)-6,7-dihydro-4H-pyrazolo[4,3-c]pyridine-3-carboxamide

C25H29ClN4O4 — CID 26135350

IUPACN-benzyl-5-[(2-chloro-3,4-dimethoxyphenyl)methyl]-1-(2-hydroxyethyl)-6,7-dihydro-4H-pyrazolo[4,3-c]pyridine-3-carboxamide
SMILESCOc1ccc(CN2CCc3c(c(C(=O)NCc4ccccc4)nn3CCO)C2)c(Cl)c1OC
InChIInChI=1S/C25H29ClN4O4/c1-33-21-9-8-18(22(26)24(21)34-2)15-29-11-10-20-19(16-29)23(28-30(20)12-13-31)25(32)27-14-17-6-4-3-5-7-17/h3-9,31H,10-16H2,1-2H3,(H,27,32)
InChIKeyUEMYGGBJSDNKBT-UHFFFAOYSA-N
MW484.98 g/mol
LogP3.03
Rot. Bonds9

About N-benzyl-5-[(2-chloro-3,4-dimethoxyphenyl)methyl]-1-(2-hydroxyethyl)-6,7-dihydro-4H-pyrazolo[4,3-c]pyridine-3-carboxamide

N-benzyl-5-[(2-chloro-3,4-dimethoxyphenyl)methyl]-1-(2-hydroxyethyl)-6,7-dihydro-4H-pyrazolo[4,3-c]pyridine-3-carboxamide (PubChem CID 26135350) has the molecular formula C25H29ClN4O4 and a molecular weight of 484.98 g/mol. Its IUPAC name is N-benzyl-5-[(2-chloro-3,4-dimethoxyphenyl)methyl]-1-(2-hydroxyethyl)-6,7-dihydro-4H-pyrazolo[4,3-c]pyridine-3-carboxamide.

Molecular Properties

Compound NameN-benzyl-5-[(2-chloro-3,4-dimethoxyphenyl)methyl]-1-(2-hydroxyethyl)-6,7-dihydro-4H-pyrazolo[4,3-c]pyridine-3-carboxamide
PubChem CID26135350
Molecular FormulaC25H29ClN4O4
Molecular Weight484.98 g/mol
Exact Mass484.19
IUPAC NameN-benzyl-5-[(2-chloro-3,4-dimethoxyphenyl)methyl]-1-(2-hydroxyethyl)-6,7-dihydro-4H-pyrazolo[4,3-c]pyridine-3-carboxamide
SMILESCOc1ccc(CN2CCc3c(c(C(=O)NCc4ccccc4)nn3CCO)C2)c(Cl)c1OC
InChIInChI=1S/C25H29ClN4O4/c1-33-21-9-8-18(22(26)24(21)34-2)15-29-11-10-20-19(16-29)23(28-30(20)12-13-31)25(32)27-14-17-6-4-3-5-7-17/h3-9,31H,10-16H2,1-2H3,(H,27,32)
InChIKeyUEMYGGBJSDNKBT-UHFFFAOYSA-N
XLogP3.03
TPSA88.85 Ų
H-Bond Donors2
H-Bond Acceptors7
Rotatable Bonds9
Heavy Atoms34
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500484.98
LogP ≤ 53.03
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 107

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Related Compounds

N-benzyl-5-[(2,4-dimethoxy-3-methylphenyl)methyl]-1-(2-hydroxyethyl)-6,7-dihydro-4H-pyrazolo[4,3-c]pyridine-3-carboxamide
CID 26140349
1-(2-hydroxyethyl)-5-[(4-methoxynaphthalen-1-yl)methyl]-N-(quinolin-8-ylmethyl)-6,7-dihydro-4H-pyrazolo[4,3-c]pyridine-3-carboxamide
CID 118933164
N-benzyl-5-[(3,5-dimethylphenyl)methyl]-1-(2-hydroxyethyl)-6,7-dihydro-4H-pyrazolo[4,3-c]pyridine-3-carboxamide
CID 26143204
N-benzyl-1-(2-hydroxyethyl)-5-[(5-phenyl-1H-pyrazol-4-yl)methyl]-6,7-dihydro-4H-pyrazolo[4,3-c]pyridine-3-carboxamide
CID 28811586
N-benzyl-1-(2-hydroxyethyl)-5-(2-methylpropyl)-6,7-dihydro-4H-pyrazolo[4,3-c]pyridine-3-carboxamide
CID 26225988
N-benzyl-1-(2-hydroxyethyl)-5-(3-methylbut-2-enyl)-6,7-dihydro-4H-pyrazolo[4,3-c]pyridine-3-carboxamide
CID 26140157
1-(2-hydroxyethyl)-5-[(4-methylphenyl)methyl]-N-(naphthalen-1-ylmethyl)-6,7-dihydro-4H-pyrazolo[4,3-c]pyridine-3-carboxamide
CID 118933278
methyl 2-[2-[5-[(4-methoxynaphthalen-1-yl)methyl]-3-(naphthalen-1-ylmethylcarbamoyl)-6,7-dihydro-4H-pyrazolo[4,3-c]pyridin-1-yl]ethylamino]acetate
CID 155553873
1-(2-hydroxyethyl)-N-(naphthalen-1-ylmethyl)-5-[[4-(trifluoromethoxy)phenyl]methyl]-6,7-dihydro-4H-pyrazolo[4,3-c]pyridine-3-carboxamide
CID 118933284
N-benzyl-5-cyclopentyl-1-(2-hydroxyethyl)-6,7-dihydro-4H-pyrazolo[4,3-c]pyridine-3-carboxamide
CID 26229751
methyl 3-[[1-(2-hydroxyethyl)-3-(naphthalen-1-ylmethylcarbamoyl)-6,7-dihydro-4H-pyrazolo[4,3-c]pyridin-5-yl]methyl]-1H-indole-6-carboxylate
CID 130375336
carbon dioxide;1-(2-hydroxyethyl)-5-[(4-methoxynaphthalen-1-yl)methyl]-N-(naphthalen-1-ylmethyl)-N-propyl-6,7-dihydro-4H-pyrazolo[4,3-c]pyridine-3-carboxamide
CID 157409851

Frequently Asked Questions

What is the IUPAC name of N-benzyl-5-[(2-chloro-3,4-dimethoxyphenyl)methyl]-1-(2-hydroxyethyl)-6,7-dihydro-4H-pyrazolo[4,3-c]pyridine-3-carboxamide?
The IUPAC name of N-benzyl-5-[(2-chloro-3,4-dimethoxyphenyl)methyl]-1-(2-hydroxyethyl)-6,7-dihydro-4H-pyrazolo[4,3-c]pyridine-3-carboxamide (CID 26135350) is N-benzyl-5-[(2-chloro-3,4-dimethoxyphenyl)methyl]-1-(2-hydroxyethyl)-6,7-dihydro-4H-pyrazolo[4,3-c]pyridine-3-carboxamide.
What is the SMILES notation for N-benzyl-5-[(2-chloro-3,4-dimethoxyphenyl)methyl]-1-(2-hydroxyethyl)-6,7-dihydro-4H-pyrazolo[4,3-c]pyridine-3-carboxamide?
The canonical SMILES for N-benzyl-5-[(2-chloro-3,4-dimethoxyphenyl)methyl]-1-(2-hydroxyethyl)-6,7-dihydro-4H-pyrazolo[4,3-c]pyridine-3-carboxamide is COc1ccc(CN2CCc3c(c(C(=O)NCc4ccccc4)nn3CCO)C2)c(Cl)c1OC.
What is the InChIKey of N-benzyl-5-[(2-chloro-3,4-dimethoxyphenyl)methyl]-1-(2-hydroxyethyl)-6,7-dihydro-4H-pyrazolo[4,3-c]pyridine-3-carboxamide?
The InChIKey is UEMYGGBJSDNKBT-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H29ClN4O4/c1-33-21-9-8-18(22(26)24(21)34-2)15-29-11-10-20-19(16-29)23(28-30(20)12-13-31)25(32)27-14-17-6-4-3-5-7-17/h3-9,31H,10-16H2,1-2H3,(H,27,32).
What are the key properties of N-benzyl-5-[(2-chloro-3,4-dimethoxyphenyl)methyl]-1-(2-hydroxyethyl)-6,7-dihydro-4H-pyrazolo[4,3-c]pyridine-3-carboxamide?
N-benzyl-5-[(2-chloro-3,4-dimethoxyphenyl)methyl]-1-(2-hydroxyethyl)-6,7-dihydro-4H-pyrazolo[4,3-c]pyridine-3-carboxamide has a molecular weight of 484.98 g/mol, XLogP of 3.03, 9 rotatable bonds, 2 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for N-benzyl-5-[(2-chloro-3,4-dimethoxyphenyl)methyl]-1-(2-hydroxyethyl)-6,7-dihydro-4H-pyrazolo[4,3-c]pyridine-3-carboxamide is sourced from PubChem (CID 26135350), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).