5-[2-(3-chlorophenoxy)propanoyl]-1-(2-methoxyethyl)-N-(pyridin-3-ylmethyl)-6,7-dihydro-4H-pyrazolo[4,3-c]pyridine-3-carboxamide

C25H28ClN5O4 — CID 45162401

IUPAC5-[2-(3-chlorophenoxy)propanoyl]-1-(2-methoxyethyl)-N-(pyridin-3-ylmethyl)-6,7-dihydro-4H-pyrazolo[4,3-c]pyridine-3-carboxamide
SMILESCOCCn1nc(C(=O)NCc2cccnc2)c2c1CCN(C(=O)C(C)Oc1cccc(Cl)c1)C2
InChIInChI=1S/C25H28ClN5O4/c1-17(35-20-7-3-6-19(26)13-20)25(33)30-10-8-22-21(16-30)23(29-31(22)11-12-34-2)24(32)28-15-18-5-4-9-27-14-18/h3-7,9,13-14,17H,8,10-12,15-16H2,1-2H3,(H,28,32)
InChIKeyJQXJBDGKUZTOKA-UHFFFAOYSA-N
MW497.98 g/mol
LogP2.86
Rot. Bonds9

About 5-[2-(3-chlorophenoxy)propanoyl]-1-(2-methoxyethyl)-N-(pyridin-3-ylmethyl)-6,7-dihydro-4H-pyrazolo[4,3-c]pyridine-3-carboxamide

5-[2-(3-chlorophenoxy)propanoyl]-1-(2-methoxyethyl)-N-(pyridin-3-ylmethyl)-6,7-dihydro-4H-pyrazolo[4,3-c]pyridine-3-carboxamide (PubChem CID 45162401) has the molecular formula C25H28ClN5O4 and a molecular weight of 497.98 g/mol. Its IUPAC name is 5-[2-(3-chlorophenoxy)propanoyl]-1-(2-methoxyethyl)-N-(pyridin-3-ylmethyl)-6,7-dihydro-4H-pyrazolo[4,3-c]pyridine-3-carboxamide.

Molecular Properties

Compound Name5-[2-(3-chlorophenoxy)propanoyl]-1-(2-methoxyethyl)-N-(pyridin-3-ylmethyl)-6,7-dihydro-4H-pyrazolo[4,3-c]pyridine-3-carboxamide
PubChem CID45162401
Molecular FormulaC25H28ClN5O4
Molecular Weight497.98 g/mol
Exact Mass497.18
IUPAC Name5-[2-(3-chlorophenoxy)propanoyl]-1-(2-methoxyethyl)-N-(pyridin-3-ylmethyl)-6,7-dihydro-4H-pyrazolo[4,3-c]pyridine-3-carboxamide
SMILESCOCCn1nc(C(=O)NCc2cccnc2)c2c1CCN(C(=O)C(C)Oc1cccc(Cl)c1)C2
InChIInChI=1S/C25H28ClN5O4/c1-17(35-20-7-3-6-19(26)13-20)25(33)30-10-8-22-21(16-30)23(29-31(22)11-12-34-2)24(32)28-15-18-5-4-9-27-14-18/h3-7,9,13-14,17H,8,10-12,15-16H2,1-2H3,(H,28,32)
InChIKeyJQXJBDGKUZTOKA-UHFFFAOYSA-N
XLogP2.86
TPSA98.58 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds9
Heavy Atoms35
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500497.98
LogP ≤ 52.86
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

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Related Compounds

1-(2-methoxyethyl)-N-(pyridin-3-ylmethyl)-5-(thiophen-3-ylmethyl)-6,7-dihydro-4H-pyrazolo[4,3-c]pyridine-3-carboxamide
CID 26219419
5-benzoyl-1-(2-methylpropyl)-N-(pyridin-3-ylmethyl)-6,7-dihydro-4H-pyrazolo[4,3-c]pyridine-3-carboxamide
CID 26138413
methyl 4-[[1-(2-methylpropyl)-3-(pyridin-3-ylmethylcarbamoyl)-6,7-dihydro-4H-pyrazolo[4,3-c]pyridin-5-yl]methyl]benzoate
CID 26144039
5-(1-ethylpyrazole-4-carbonyl)-1-(2-methylpropyl)-N-(pyridin-3-ylmethyl)-6,7-dihydro-4H-pyrazolo[4,3-c]pyridine-3-carboxamide
CID 26214877
2-(3-chlorophenoxy)-1-[2-(2-pyridin-3-ylethyl)-6,7-dihydro-4H-[1,3]oxazolo[4,5-c]pyridin-5-yl]propan-1-one
CID 169412479
1-(2-methylpropyl)-N-(pyridin-3-ylmethyl)-5-(thiophen-2-ylmethyl)-6,7-dihydro-4H-pyrazolo[4,3-c]pyridine-3-carboxamide
CID 26221039
2-(3-chlorophenoxy)-1-[2-(2-methoxyethoxy)-7,8-dihydro-5H-1,6-naphthyridin-6-yl]propan-1-one
CID 163338667
N-[[7-[2-(3-chlorophenoxy)propanoyl]-3-methyl-6,8-dihydro-5H-2,7-naphthyridin-4-yl]methyl]-1,3-thiazole-5-carboxamide
CID 45201377
2-(3-chlorophenoxy)-1-(3,4-dihydro-1H-isoquinolin-2-yl)propan-1-one
CID 4196050
(2R)-1-(azepan-1-yl)-2-(3-chlorophenoxy)propan-1-one
CID 897812
3-propan-2-yloxy-N-(pyridin-3-ylmethyl)benzamide
CID 4552071
N-[[7-[(2R)-2-(3-chlorophenoxy)propanoyl]-3-methyl-6,8-dihydro-5H-2,7-naphthyridin-4-yl]methyl]-3-methylthiophene-2-carboxamide
CID 42278292

Frequently Asked Questions

What is the IUPAC name of 5-[2-(3-chlorophenoxy)propanoyl]-1-(2-methoxyethyl)-N-(pyridin-3-ylmethyl)-6,7-dihydro-4H-pyrazolo[4,3-c]pyridine-3-carboxamide?
The IUPAC name of 5-[2-(3-chlorophenoxy)propanoyl]-1-(2-methoxyethyl)-N-(pyridin-3-ylmethyl)-6,7-dihydro-4H-pyrazolo[4,3-c]pyridine-3-carboxamide (CID 45162401) is 5-[2-(3-chlorophenoxy)propanoyl]-1-(2-methoxyethyl)-N-(pyridin-3-ylmethyl)-6,7-dihydro-4H-pyrazolo[4,3-c]pyridine-3-carboxamide.
What is the SMILES notation for 5-[2-(3-chlorophenoxy)propanoyl]-1-(2-methoxyethyl)-N-(pyridin-3-ylmethyl)-6,7-dihydro-4H-pyrazolo[4,3-c]pyridine-3-carboxamide?
The canonical SMILES for 5-[2-(3-chlorophenoxy)propanoyl]-1-(2-methoxyethyl)-N-(pyridin-3-ylmethyl)-6,7-dihydro-4H-pyrazolo[4,3-c]pyridine-3-carboxamide is COCCn1nc(C(=O)NCc2cccnc2)c2c1CCN(C(=O)C(C)Oc1cccc(Cl)c1)C2.
What is the InChIKey of 5-[2-(3-chlorophenoxy)propanoyl]-1-(2-methoxyethyl)-N-(pyridin-3-ylmethyl)-6,7-dihydro-4H-pyrazolo[4,3-c]pyridine-3-carboxamide?
The InChIKey is JQXJBDGKUZTOKA-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H28ClN5O4/c1-17(35-20-7-3-6-19(26)13-20)25(33)30-10-8-22-21(16-30)23(29-31(22)11-12-34-2)24(32)28-15-18-5-4-9-27-14-18/h3-7,9,13-14,17H,8,10-12,15-16H2,1-2H3,(H,28,32).
What are the key properties of 5-[2-(3-chlorophenoxy)propanoyl]-1-(2-methoxyethyl)-N-(pyridin-3-ylmethyl)-6,7-dihydro-4H-pyrazolo[4,3-c]pyridine-3-carboxamide?
5-[2-(3-chlorophenoxy)propanoyl]-1-(2-methoxyethyl)-N-(pyridin-3-ylmethyl)-6,7-dihydro-4H-pyrazolo[4,3-c]pyridine-3-carboxamide has a molecular weight of 497.98 g/mol, XLogP of 2.86, 9 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 5-[2-(3-chlorophenoxy)propanoyl]-1-(2-methoxyethyl)-N-(pyridin-3-ylmethyl)-6,7-dihydro-4H-pyrazolo[4,3-c]pyridine-3-carboxamide is sourced from PubChem (CID 45162401), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).