4-(3-cyanophenyl)-3-cyclopropyloxy-N-[(5-hydroxy-4-methylpyrazolo[4,3-c]pyridin-7-yl)methyl]-N-methylbenzamide

C26H23N5O3 — CID 170941268

IUPAC4-(3-cyanophenyl)-3-cyclopropyloxy-N-[(5-hydroxy-4-methylpyrazolo[4,3-c]pyridin-7-yl)methyl]-N-methylbenzamide
SMILESCc1c2cnnc-2c(CN(C)C(=O)c2ccc(-c3cccc(C#N)c3)c(OC3CC3)c2)cn1O
InChIInChI=1S/C26H23N5O3/c1-16-23-13-28-29-25(23)20(15-31(16)33)14-30(2)26(32)19-6-9-22(24(11-19)34-21-7-8-21)18-5-3-4-17(10-18)12-27/h3-6,9-11,13,15,21,33H,7-8,14H2,1-2H3
InChIKeyARXKXNHASSODCG-UHFFFAOYSA-N
MW453.50 g/mol
LogP4.28
Rot. Bonds6

About 4-(3-cyanophenyl)-3-cyclopropyloxy-N-[(5-hydroxy-4-methylpyrazolo[4,3-c]pyridin-7-yl)methyl]-N-methylbenzamide

4-(3-cyanophenyl)-3-cyclopropyloxy-N-[(5-hydroxy-4-methylpyrazolo[4,3-c]pyridin-7-yl)methyl]-N-methylbenzamide (PubChem CID 170941268) has the molecular formula C26H23N5O3 and a molecular weight of 453.50 g/mol. Its IUPAC name is 4-(3-cyanophenyl)-3-cyclopropyloxy-N-[(5-hydroxy-4-methylpyrazolo[4,3-c]pyridin-7-yl)methyl]-N-methylbenzamide.

Molecular Properties

Compound Name4-(3-cyanophenyl)-3-cyclopropyloxy-N-[(5-hydroxy-4-methylpyrazolo[4,3-c]pyridin-7-yl)methyl]-N-methylbenzamide
PubChem CID170941268
Molecular FormulaC26H23N5O3
Molecular Weight453.50 g/mol
Exact Mass453.18
IUPAC Name4-(3-cyanophenyl)-3-cyclopropyloxy-N-[(5-hydroxy-4-methylpyrazolo[4,3-c]pyridin-7-yl)methyl]-N-methylbenzamide
SMILESCc1c2cnnc-2c(CN(C)C(=O)c2ccc(-c3cccc(C#N)c3)c(OC3CC3)c2)cn1O
InChIInChI=1S/C26H23N5O3/c1-16-23-13-28-29-25(23)20(15-31(16)33)14-30(2)26(32)19-6-9-22(24(11-19)34-21-7-8-21)18-5-3-4-17(10-18)12-27/h3-6,9-11,13,15,21,33H,7-8,14H2,1-2H3
InChIKeyARXKXNHASSODCG-UHFFFAOYSA-N
XLogP4.28
TPSA104.27 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds6
Heavy Atoms34
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500453.50
LogP ≤ 54.28
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'N-hydroxyl_pyridine', 'substructure': 'N/A'}

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Related Compounds

3-ethoxy-4-(3-fluorophenyl)-N-[(5-hydroxy-4-methylpyrazolo[4,3-c]pyridin-7-yl)methyl]-N,2-dimethylbenzamide
CID 170941274
N-[(4-cyano-1H-indazol-7-yl)methyl]-3-cyclopropyloxy-4-(3-fluorophenyl)-N-methylbenzamide
CID 165385244
N-[(4-cyano-1H-pyrrolo[3,4-c]pyridin-7-yl)methyl]-3-cyclopropyloxy-N-methyl-4-phenylbenzamide
CID 167598176
6-(3-cyanophenyl)-5-cyclopropyloxy-N-[(4-fluoro-1H-indazol-7-yl)methyl]-N-methylpyridine-3-carboxamide
CID 165385100
N-[(4-cyano-1H-indazol-7-yl)methyl]-4-(3-cyanophenyl)-3-ethoxy-N-methylbenzamide
CID 165385281
4-(3-cyanophenyl)-3-cyclopropyloxy-N-[(1R)-3-(dimethylamino)-1-(1H-pyrazolo[4,3-c]pyridin-7-yl)propyl]-N-methylbenzamide
CID 177350292
5-(3-cyanophenyl)-6-cyclopropyloxy-N-[(6-methoxy-1H-pyrrolo[3,4-c]pyridin-7-yl)methyl]-N-methylpyridine-2-carboxamide
CID 167570289
3-cyclopropyloxy-N-[(4-fluoro-5-hydroxy-1H-indazol-7-yl)methyl]-4-(3-fluorophenyl)-N-methylbenzamide
CID 165385094
3-cyclobutyloxy-4-(3-fluorophenyl)-N-(1H-indazol-7-ylmethyl)-N-methylbenzamide
CID 165385394
3-cyclopropyloxy-4-(3-fluorophenyl)-N-[[7-(hydroxymethyl)-3H-isoindol-4-yl]methyl]-N-methylbenzamide
CID 174089150
5-(3-cyanophenyl)-6-cyclopropyloxy-N-[(7-fluoro-3H-isoindol-4-yl)methyl]-N-methylpyridine-2-carboxamide
CID 167575131
4-(3-chlorophenyl)-3-cyclopropyloxy-N-methyl-N-[(6-methyl-1H-pyrazolo[4,3-c]pyridin-7-yl)methyl]benzamide
CID 171106899

Frequently Asked Questions

What is the IUPAC name of 4-(3-cyanophenyl)-3-cyclopropyloxy-N-[(5-hydroxy-4-methylpyrazolo[4,3-c]pyridin-7-yl)methyl]-N-methylbenzamide?
The IUPAC name of 4-(3-cyanophenyl)-3-cyclopropyloxy-N-[(5-hydroxy-4-methylpyrazolo[4,3-c]pyridin-7-yl)methyl]-N-methylbenzamide (CID 170941268) is 4-(3-cyanophenyl)-3-cyclopropyloxy-N-[(5-hydroxy-4-methylpyrazolo[4,3-c]pyridin-7-yl)methyl]-N-methylbenzamide.
What is the SMILES notation for 4-(3-cyanophenyl)-3-cyclopropyloxy-N-[(5-hydroxy-4-methylpyrazolo[4,3-c]pyridin-7-yl)methyl]-N-methylbenzamide?
The canonical SMILES for 4-(3-cyanophenyl)-3-cyclopropyloxy-N-[(5-hydroxy-4-methylpyrazolo[4,3-c]pyridin-7-yl)methyl]-N-methylbenzamide is Cc1c2cnnc-2c(CN(C)C(=O)c2ccc(-c3cccc(C#N)c3)c(OC3CC3)c2)cn1O.
What is the InChIKey of 4-(3-cyanophenyl)-3-cyclopropyloxy-N-[(5-hydroxy-4-methylpyrazolo[4,3-c]pyridin-7-yl)methyl]-N-methylbenzamide?
The InChIKey is ARXKXNHASSODCG-UHFFFAOYSA-N. The full InChI is InChI=1S/C26H23N5O3/c1-16-23-13-28-29-25(23)20(15-31(16)33)14-30(2)26(32)19-6-9-22(24(11-19)34-21-7-8-21)18-5-3-4-17(10-18)12-27/h3-6,9-11,13,15,21,33H,7-8,14H2,1-2H3.
What are the key properties of 4-(3-cyanophenyl)-3-cyclopropyloxy-N-[(5-hydroxy-4-methylpyrazolo[4,3-c]pyridin-7-yl)methyl]-N-methylbenzamide?
4-(3-cyanophenyl)-3-cyclopropyloxy-N-[(5-hydroxy-4-methylpyrazolo[4,3-c]pyridin-7-yl)methyl]-N-methylbenzamide has a molecular weight of 453.50 g/mol, XLogP of 4.28, 6 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(3-cyanophenyl)-3-cyclopropyloxy-N-[(5-hydroxy-4-methylpyrazolo[4,3-c]pyridin-7-yl)methyl]-N-methylbenzamide is sourced from PubChem (CID 170941268), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).