6-cyano-1-[3-[3-(3-ethyl-2-pyridinyl)-3-hydroxybut-1-ynyl]phenyl]pyrazolo[4,3-c]pyridine-3-carboxamide

C25H20N6O2 — CID 123165884

IUPAC6-cyano-1-[3-[3-(3-ethyl-2-pyridinyl)-3-hydroxybut-1-ynyl]phenyl]pyrazolo[4,3-c]pyridine-3-carboxamide
SMILESCCc1cccnc1C(C)(O)C#Cc1cccc(-n2nc(C(N)=O)c3cnc(C#N)cc32)c1
InChIInChI=1S/C25H20N6O2/c1-3-17-7-5-11-28-23(17)25(2,33)10-9-16-6-4-8-19(12-16)31-21-13-18(14-26)29-15-20(21)22(30-31)24(27)32/h4-8,11-13,15,33H,3H2,1-2H3,(H2,27,32)
InChIKeyQVCGWMFUAGJGMW-UHFFFAOYSA-N
MW436.48 g/mol
LogP2.61
Rot. Bonds4

About 6-cyano-1-[3-[3-(3-ethyl-2-pyridinyl)-3-hydroxybut-1-ynyl]phenyl]pyrazolo[4,3-c]pyridine-3-carboxamide

6-cyano-1-[3-[3-(3-ethyl-2-pyridinyl)-3-hydroxybut-1-ynyl]phenyl]pyrazolo[4,3-c]pyridine-3-carboxamide (PubChem CID 123165884) has the molecular formula C25H20N6O2 and a molecular weight of 436.48 g/mol. Its IUPAC name is 6-cyano-1-[3-[3-(3-ethyl-2-pyridinyl)-3-hydroxybut-1-ynyl]phenyl]pyrazolo[4,3-c]pyridine-3-carboxamide.

Molecular Properties

Compound Name6-cyano-1-[3-[3-(3-ethyl-2-pyridinyl)-3-hydroxybut-1-ynyl]phenyl]pyrazolo[4,3-c]pyridine-3-carboxamide
PubChem CID123165884
Molecular FormulaC25H20N6O2
Molecular Weight436.48 g/mol
Exact Mass436.16
IUPAC Name6-cyano-1-[3-[3-(3-ethyl-2-pyridinyl)-3-hydroxybut-1-ynyl]phenyl]pyrazolo[4,3-c]pyridine-3-carboxamide
SMILESCCc1cccnc1C(C)(O)C#Cc1cccc(-n2nc(C(N)=O)c3cnc(C#N)cc32)c1
InChIInChI=1S/C25H20N6O2/c1-3-17-7-5-11-28-23(17)25(2,33)10-9-16-6-4-8-19(12-16)31-21-13-18(14-26)29-15-20(21)22(30-31)24(27)32/h4-8,11-13,15,33H,3H2,1-2H3,(H2,27,32)
InChIKeyQVCGWMFUAGJGMW-UHFFFAOYSA-N
XLogP2.61
TPSA130.71 Ų
H-Bond Donors2
H-Bond Acceptors7
Rotatable Bonds4
Heavy Atoms33
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500436.48
LogP ≤ 52.61
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 107

Computed Properties (RDKit)

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

Analyze 6-cyano-1-[3-[3-(3-ethyl-2-pyridinyl)-3-hydroxybut-1-ynyl]phenyl]pyrazolo[4,3-c]pyridine-3-carboxamide 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

6-cyano-1-[3-[2-(6,7-dihydro-5H-cyclopenta[b]pyridin-7-yl)ethynyl]phenyl]pyrazolo[4,3-c]pyridine-3-carboxamide
CID 144793337
6-cyano-1-[3-[2-[(3S)-1-methyl-2-oxopyrrolidin-3-yl]ethynyl]phenyl]pyrazolo[4,3-c]pyridine-3-carboxamide
CID 144793425
azane;6-cyano-1-[3-[2-[(3R)-3-hydroxy-1-methyl-2-oxopyrrolidin-3-yl]ethynyl]phenyl]pyrazolo[4,3-c]pyridine-3-carboxamide;methyl 6-cyano-1-[3-[2-[(3R)-3-hydroxy-1-methyl-2-oxopyrrolidin-3-yl]ethynyl]phenyl]pyrazolo[4,3-c]pyridine-3-carboxylate
CID 158149834
6-fluoro-1-[3-[6-[formyl(methyl)amino]-3-hydroxy-3-methylhex-1-ynyl]phenyl]indazole-3-carboxamide
CID 123217711
1-[3-cyano-5-[5-[formyl(methyl)amino]-3-hydroxy-3-methylpent-1-ynyl]phenyl]pyrazolo[5,4-b]pyridine-3-carboxamide
CID 123286225
6-methoxy-1-[3-[2-(1-methyl-2-oxopyrrolidin-3-yl)ethynyl]phenyl]pyrazolo[4,3-c]pyridine-3-carboxamide
CID 144793265
1-[3-[(3R)-5-(dimethylamino)-3-formyl-3-hydroxypent-1-ynyl]phenyl]-5-[(1S)-1-hydroxyethyl]indazole-3-carboxamide
CID 126724950
1-[3-[2-[(3R)-3-hydroxy-1-methyl-2-oxopyrrolidin-3-yl]ethynyl]phenyl]-6-methylpyrazolo[4,3-c]pyridine-3-carboxamide;methane;methyl 1-[3-[2-[(3R)-3-hydroxy-1-methyl-2-oxopyrrolidin-3-yl]ethynyl]phenyl]-6-methylpyrazolo[4,3-c]pyridine-3-carboxylate
CID 162218835
1-[3-[4-[ethyl(methyl)amino]-3-hydroxy-4-oxobut-1-ynyl]phenyl]-5-(hydroxymethyl)indazole-3-carboxamide
CID 144792839
1-[3-[5-[formyl(methyl)amino]-3-hydroxy-3-methylpent-1-ynyl]-5-(trifluoromethyl)phenyl]pyrazolo[5,4-b]pyridine-3-carboxamide
CID 123960550
3-(2-hydroxy-2-methylpropyl)pyridine-2-carboxamide
CID 175762355
1-[3-[2-[(1R,4R,5S,6R)-4-hydroxy-2,6-dimethyl-3-oxo-2-azabicyclo[3.1.0]hexan-4-yl]ethynyl]phenyl]pyrazolo[5,4-b]pyridine-3-carboxamide
CID 138569314

Frequently Asked Questions

What is the IUPAC name of 6-cyano-1-[3-[3-(3-ethyl-2-pyridinyl)-3-hydroxybut-1-ynyl]phenyl]pyrazolo[4,3-c]pyridine-3-carboxamide?
The IUPAC name of 6-cyano-1-[3-[3-(3-ethyl-2-pyridinyl)-3-hydroxybut-1-ynyl]phenyl]pyrazolo[4,3-c]pyridine-3-carboxamide (CID 123165884) is 6-cyano-1-[3-[3-(3-ethyl-2-pyridinyl)-3-hydroxybut-1-ynyl]phenyl]pyrazolo[4,3-c]pyridine-3-carboxamide.
What is the SMILES notation for 6-cyano-1-[3-[3-(3-ethyl-2-pyridinyl)-3-hydroxybut-1-ynyl]phenyl]pyrazolo[4,3-c]pyridine-3-carboxamide?
The canonical SMILES for 6-cyano-1-[3-[3-(3-ethyl-2-pyridinyl)-3-hydroxybut-1-ynyl]phenyl]pyrazolo[4,3-c]pyridine-3-carboxamide is CCc1cccnc1C(C)(O)C#Cc1cccc(-n2nc(C(N)=O)c3cnc(C#N)cc32)c1.
What is the InChIKey of 6-cyano-1-[3-[3-(3-ethyl-2-pyridinyl)-3-hydroxybut-1-ynyl]phenyl]pyrazolo[4,3-c]pyridine-3-carboxamide?
The InChIKey is QVCGWMFUAGJGMW-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H20N6O2/c1-3-17-7-5-11-28-23(17)25(2,33)10-9-16-6-4-8-19(12-16)31-21-13-18(14-26)29-15-20(21)22(30-31)24(27)32/h4-8,11-13,15,33H,3H2,1-2H3,(H2,27,32).
What are the key properties of 6-cyano-1-[3-[3-(3-ethyl-2-pyridinyl)-3-hydroxybut-1-ynyl]phenyl]pyrazolo[4,3-c]pyridine-3-carboxamide?
6-cyano-1-[3-[3-(3-ethyl-2-pyridinyl)-3-hydroxybut-1-ynyl]phenyl]pyrazolo[4,3-c]pyridine-3-carboxamide has a molecular weight of 436.48 g/mol, XLogP of 2.61, 4 rotatable bonds, 2 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 6-cyano-1-[3-[3-(3-ethyl-2-pyridinyl)-3-hydroxybut-1-ynyl]phenyl]pyrazolo[4,3-c]pyridine-3-carboxamide is sourced from PubChem (CID 123165884), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).