3-cyano-N-[4-[2-[4-(cyclohexylamino)-2H-pyrazolo[4,3-c]pyridin-3-yl]ethyl]phenyl]benzamide

C28H28N6O — CID 59619142

IUPAC3-cyano-N-[4-[2-[4-(cyclohexylamino)-2H-pyrazolo[4,3-c]pyridin-3-yl]ethyl]phenyl]benzamide
SMILESN#Cc1cccc(C(=O)Nc2ccc(CCc3[nH]nc4ccnc(NC5CCCCC5)c34)cc2)c1
InChIInChI=1S/C28H28N6O/c29-18-20-5-4-6-21(17-20)28(35)32-23-12-9-19(10-13-23)11-14-24-26-25(34-33-24)15-16-30-27(26)31-22-7-2-1-3-8-22/h4-6,9-10,12-13,15-17,22H,1-3,7-8,11,14H2,(H,30,31)(H,32,35)(H,33,34)
InChIKeyGBIIFWMIFKYPLB-UHFFFAOYSA-N
MW464.57 g/mol
LogP5.61
Rot. Bonds7

About 3-cyano-N-[4-[2-[4-(cyclohexylamino)-2H-pyrazolo[4,3-c]pyridin-3-yl]ethyl]phenyl]benzamide

3-cyano-N-[4-[2-[4-(cyclohexylamino)-2H-pyrazolo[4,3-c]pyridin-3-yl]ethyl]phenyl]benzamide (PubChem CID 59619142) has the molecular formula C28H28N6O and a molecular weight of 464.57 g/mol. Its IUPAC name is 3-cyano-N-[4-[2-[4-(cyclohexylamino)-2H-pyrazolo[4,3-c]pyridin-3-yl]ethyl]phenyl]benzamide.

Molecular Properties

Compound Name3-cyano-N-[4-[2-[4-(cyclohexylamino)-2H-pyrazolo[4,3-c]pyridin-3-yl]ethyl]phenyl]benzamide
PubChem CID59619142
Molecular FormulaC28H28N6O
Molecular Weight464.57 g/mol
Exact Mass464.23
IUPAC Name3-cyano-N-[4-[2-[4-(cyclohexylamino)-2H-pyrazolo[4,3-c]pyridin-3-yl]ethyl]phenyl]benzamide
SMILESN#Cc1cccc(C(=O)Nc2ccc(CCc3[nH]nc4ccnc(NC5CCCCC5)c34)cc2)c1
InChIInChI=1S/C28H28N6O/c29-18-20-5-4-6-21(17-20)28(35)32-23-12-9-19(10-13-23)11-14-24-26-25(34-33-24)15-16-30-27(26)31-22-7-2-1-3-8-22/h4-6,9-10,12-13,15-17,22H,1-3,7-8,11,14H2,(H,30,31)(H,32,35)(H,33,34)
InChIKeyGBIIFWMIFKYPLB-UHFFFAOYSA-N
XLogP5.61
TPSA106.49 Ų
H-Bond Donors3
H-Bond Acceptors5
Rotatable Bonds7
Heavy Atoms35
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500464.57
LogP ≤ 55.61
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 105

Analyze 3-cyano-N-[4-[2-[4-(cyclohexylamino)-2H-pyrazolo[4,3-c]pyridin-3-yl]ethyl]phenyl]benzamide with MolForge

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Related Compounds

N-[4-[2-[4-(cyclohexylamino)-2H-pyrazolo[4,3-c]pyridin-3-yl]ethyl]phenyl]pyridine-3-carboxamide
CID 59619082
4-[2-[4-(cyclohexylamino)-2H-pyrazolo[4,3-c]pyridin-3-yl]ethyl]-N-pyridin-4-ylbenzamide
CID 59618919
3-[4-(cyclohexylamino)-2H-pyrazolo[4,3-c]pyridin-3-yl]-1-pyrrolidin-1-ylpropan-1-one
CID 46912923
3-cyano-N-[4-(cyclohexylsulfamoyl)phenyl]benzamide
CID 108808703
3-[4-(cyclohexylamino)-2H-pyrazolo[4,3-c]pyridin-3-yl]-1-(4-methylpiperazin-1-yl)propan-1-one
CID 46912928
3-cyano-N-[4-[2-(4-hydroxypiperidin-1-yl)ethyl]phenyl]benzamide
CID 71869671
3-[4-(cyclohexylamino)-2H-pyrazolo[4,3-c]pyridin-3-yl]-1-(4-cyclopropylpiperazin-1-yl)propan-1-one
CID 56940770
N-(3-cyanophenyl)-5-(cyclohexylamino)pyridine-3-carboxamide
CID 109226989
N-(4-chlorophenyl)-3-cyanobenzamide
CID 1475891
N-(3-cyanophenyl)-2-(cyclohexylamino)pyrimidine-4-carboxamide
CID 109298766
N-[4-(2-amino-2-oxoethoxy)phenyl]-3-cyanobenzamide
CID 38380319
N-(4-cyanophenyl)-2-(cyclohexylamino)pyrimidine-5-carboxamide
CID 109250637

Frequently Asked Questions

What is the IUPAC name of 3-cyano-N-[4-[2-[4-(cyclohexylamino)-2H-pyrazolo[4,3-c]pyridin-3-yl]ethyl]phenyl]benzamide?
The IUPAC name of 3-cyano-N-[4-[2-[4-(cyclohexylamino)-2H-pyrazolo[4,3-c]pyridin-3-yl]ethyl]phenyl]benzamide (CID 59619142) is 3-cyano-N-[4-[2-[4-(cyclohexylamino)-2H-pyrazolo[4,3-c]pyridin-3-yl]ethyl]phenyl]benzamide.
What is the SMILES notation for 3-cyano-N-[4-[2-[4-(cyclohexylamino)-2H-pyrazolo[4,3-c]pyridin-3-yl]ethyl]phenyl]benzamide?
The canonical SMILES for 3-cyano-N-[4-[2-[4-(cyclohexylamino)-2H-pyrazolo[4,3-c]pyridin-3-yl]ethyl]phenyl]benzamide is N#Cc1cccc(C(=O)Nc2ccc(CCc3[nH]nc4ccnc(NC5CCCCC5)c34)cc2)c1.
What is the InChIKey of 3-cyano-N-[4-[2-[4-(cyclohexylamino)-2H-pyrazolo[4,3-c]pyridin-3-yl]ethyl]phenyl]benzamide?
The InChIKey is GBIIFWMIFKYPLB-UHFFFAOYSA-N. The full InChI is InChI=1S/C28H28N6O/c29-18-20-5-4-6-21(17-20)28(35)32-23-12-9-19(10-13-23)11-14-24-26-25(34-33-24)15-16-30-27(26)31-22-7-2-1-3-8-22/h4-6,9-10,12-13,15-17,22H,1-3,7-8,11,14H2,(H,30,31)(H,32,35)(H,33,34).
What are the key properties of 3-cyano-N-[4-[2-[4-(cyclohexylamino)-2H-pyrazolo[4,3-c]pyridin-3-yl]ethyl]phenyl]benzamide?
3-cyano-N-[4-[2-[4-(cyclohexylamino)-2H-pyrazolo[4,3-c]pyridin-3-yl]ethyl]phenyl]benzamide has a molecular weight of 464.57 g/mol, XLogP of 5.61, 7 rotatable bonds, 3 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 3-cyano-N-[4-[2-[4-(cyclohexylamino)-2H-pyrazolo[4,3-c]pyridin-3-yl]ethyl]phenyl]benzamide is sourced from PubChem (CID 59619142), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).