7-ethyl-4-[2-(1-methylpyrazol-4-yl)ethynyl]-6-phenylcinnoline

C22H18N4 — CID 145057372

IUPAC7-ethyl-4-[2-(1-methylpyrazol-4-yl)ethynyl]-6-phenylcinnoline
SMILESCCc1cc2nncc(C#Cc3cnn(C)c3)c2cc1-c1ccccc1
InChIInChI=1S/C22H18N4/c1-3-17-11-22-21(12-20(17)18-7-5-4-6-8-18)19(14-23-25-22)10-9-16-13-24-26(2)15-16/h4-8,11-15H,3H2,1-2H3
InChIKeyZEEAMDVTAUTTAZ-UHFFFAOYSA-N
MW338.41 g/mol
LogP3.99
Rot. Bonds2

About 7-ethyl-4-[2-(1-methylpyrazol-4-yl)ethynyl]-6-phenylcinnoline

7-ethyl-4-[2-(1-methylpyrazol-4-yl)ethynyl]-6-phenylcinnoline (PubChem CID 145057372) has the molecular formula C22H18N4 and a molecular weight of 338.41 g/mol. Its IUPAC name is 7-ethyl-4-[2-(1-methylpyrazol-4-yl)ethynyl]-6-phenylcinnoline.

Molecular Properties

Compound Name7-ethyl-4-[2-(1-methylpyrazol-4-yl)ethynyl]-6-phenylcinnoline
PubChem CID145057372
Molecular FormulaC22H18N4
Molecular Weight338.41 g/mol
Exact Mass338.15
IUPAC Name7-ethyl-4-[2-(1-methylpyrazol-4-yl)ethynyl]-6-phenylcinnoline
SMILESCCc1cc2nncc(C#Cc3cnn(C)c3)c2cc1-c1ccccc1
InChIInChI=1S/C22H18N4/c1-3-17-11-22-21(12-20(17)18-7-5-4-6-8-18)19(14-23-25-22)10-9-16-13-24-26(2)15-16/h4-8,11-15H,3H2,1-2H3
InChIKeyZEEAMDVTAUTTAZ-UHFFFAOYSA-N
XLogP3.99
TPSA43.60 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500338.41
LogP ≤ 53.99
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

2-amino-N-[(1S)-1-[4-[2-(1-methylpyrazol-4-yl)ethynyl]-6-phenylcinnolin-7-yl]ethyl]pyrazolo[1,5-a]pyrimidine-3-carboxamide
CID 121259447
6-ethyl-3-[2-(1-methylpyrazol-4-yl)ethynyl]-5-phenylthieno[3,2-b]pyridine
CID 145057345
3-amino-N-[1-[5-[2-(1-methylpyrazol-4-yl)ethynyl]-3-phenylquinolin-2-yl]ethyl]pyrazine-2-carboxamide
CID 121259673
2-ethyl-3-(3-fluorophenyl)-5-[2-(1-methylpyrazol-4-yl)ethynyl]quinoxaline
CID 145057336
2-ethyl-5-[2-(1-methylpyrazol-4-yl)ethynyl]-3H-quinazolin-4-one
CID 144927204
2-amino-N-[(1R)-1-[5-[2-(1-methylpyrazol-4-yl)ethynyl]-3-phenylquinolin-2-yl]ethyl]imidazo[1,2-b]pyridazine-3-carboxamide
CID 121260103
N-[(2S)-2-hydroxy-3-phenylpropyl]-N,6-dimethyl-5-[2-(1-methylpyrazol-4-yl)ethynyl]pyridine-3-carboxamide
CID 167466536
2-cyclohexyl-3-ethyl-8-[2-(1-methylpyrazol-4-yl)ethynyl]isoquinolin-1-one
CID 144824874
6-(difluoromethyl)-N-[(Z)-2-hydroxy-3-phenylprop-1-enyl]-N-methyl-5-[2-(1-methylpyrazol-4-yl)ethynyl]pyridine-3-carboxamide
CID 170234384
2-amino-N-[1-[4-[2-(1-methylpyrazol-3-yl)ethynyl]-6-phenylcinnolin-7-yl]ethyl]pyrazolo[1,5-a]pyrimidine-3-carboxamide
CID 121259706
2-amino-4,5-dihydropyrazolo[1,5-a]pyrimidine-3-carboxamide;2-ethyl-3-(3-fluorophenyl)-5-[2-(1-methylpyrazol-4-yl)ethynyl]quinoxaline
CID 145057335
2-ethyl-3-phenyl-5-prop-1-ynylquinoline
CID 145057543

Frequently Asked Questions

What is the IUPAC name of 7-ethyl-4-[2-(1-methylpyrazol-4-yl)ethynyl]-6-phenylcinnoline?
The IUPAC name of 7-ethyl-4-[2-(1-methylpyrazol-4-yl)ethynyl]-6-phenylcinnoline (CID 145057372) is 7-ethyl-4-[2-(1-methylpyrazol-4-yl)ethynyl]-6-phenylcinnoline.
What is the SMILES notation for 7-ethyl-4-[2-(1-methylpyrazol-4-yl)ethynyl]-6-phenylcinnoline?
The canonical SMILES for 7-ethyl-4-[2-(1-methylpyrazol-4-yl)ethynyl]-6-phenylcinnoline is CCc1cc2nncc(C#Cc3cnn(C)c3)c2cc1-c1ccccc1.
What is the InChIKey of 7-ethyl-4-[2-(1-methylpyrazol-4-yl)ethynyl]-6-phenylcinnoline?
The InChIKey is ZEEAMDVTAUTTAZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H18N4/c1-3-17-11-22-21(12-20(17)18-7-5-4-6-8-18)19(14-23-25-22)10-9-16-13-24-26(2)15-16/h4-8,11-15H,3H2,1-2H3.
What are the key properties of 7-ethyl-4-[2-(1-methylpyrazol-4-yl)ethynyl]-6-phenylcinnoline?
7-ethyl-4-[2-(1-methylpyrazol-4-yl)ethynyl]-6-phenylcinnoline has a molecular weight of 338.41 g/mol, XLogP of 3.99, 2 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 7-ethyl-4-[2-(1-methylpyrazol-4-yl)ethynyl]-6-phenylcinnoline is sourced from PubChem (CID 145057372), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).