ethyl 5-(1H-indole-6-carbonyl)-1-methyl-6,7-dihydro-4H-pyrazolo[4,3-c]pyridine-3-carboxylate

C19H20N4O3 — CID 26144416

IUPACethyl 5-(1H-indole-6-carbonyl)-1-methyl-6,7-dihydro-4H-pyrazolo[4,3-c]pyridine-3-carboxylate
SMILESCCOC(=O)c1nn(C)c2c1CN(C(=O)c1ccc3cc[nH]c3c1)CC2
InChIInChI=1S/C19H20N4O3/c1-3-26-19(25)17-14-11-23(9-7-16(14)22(2)21-17)18(24)13-5-4-12-6-8-20-15(12)10-13/h4-6,8,10,20H,3,7,9,11H2,1-2H3
InChIKeyACKHWSIGMUJLFF-UHFFFAOYSA-N
MW352.39 g/mol
LogP2.28
Rot. Bonds3

About ethyl 5-(1H-indole-6-carbonyl)-1-methyl-6,7-dihydro-4H-pyrazolo[4,3-c]pyridine-3-carboxylate

ethyl 5-(1H-indole-6-carbonyl)-1-methyl-6,7-dihydro-4H-pyrazolo[4,3-c]pyridine-3-carboxylate (PubChem CID 26144416) has the molecular formula C19H20N4O3 and a molecular weight of 352.39 g/mol. Its IUPAC name is ethyl 5-(1H-indole-6-carbonyl)-1-methyl-6,7-dihydro-4H-pyrazolo[4,3-c]pyridine-3-carboxylate.

Molecular Properties

Compound Nameethyl 5-(1H-indole-6-carbonyl)-1-methyl-6,7-dihydro-4H-pyrazolo[4,3-c]pyridine-3-carboxylate
PubChem CID26144416
Molecular FormulaC19H20N4O3
Molecular Weight352.39 g/mol
Exact Mass352.15
IUPAC Nameethyl 5-(1H-indole-6-carbonyl)-1-methyl-6,7-dihydro-4H-pyrazolo[4,3-c]pyridine-3-carboxylate
SMILESCCOC(=O)c1nn(C)c2c1CN(C(=O)c1ccc3cc[nH]c3c1)CC2
InChIInChI=1S/C19H20N4O3/c1-3-26-19(25)17-14-11-23(9-7-16(14)22(2)21-17)18(24)13-5-4-12-6-8-20-15(12)10-13/h4-6,8,10,20H,3,7,9,11H2,1-2H3
InChIKeyACKHWSIGMUJLFF-UHFFFAOYSA-N
XLogP2.28
TPSA80.22 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500352.39
LogP ≤ 52.28
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of ethyl 5-(1H-indole-6-carbonyl)-1-methyl-6,7-dihydro-4H-pyrazolo[4,3-c]pyridine-3-carboxylate?
The IUPAC name of ethyl 5-(1H-indole-6-carbonyl)-1-methyl-6,7-dihydro-4H-pyrazolo[4,3-c]pyridine-3-carboxylate (CID 26144416) is ethyl 5-(1H-indole-6-carbonyl)-1-methyl-6,7-dihydro-4H-pyrazolo[4,3-c]pyridine-3-carboxylate.
What is the SMILES notation for ethyl 5-(1H-indole-6-carbonyl)-1-methyl-6,7-dihydro-4H-pyrazolo[4,3-c]pyridine-3-carboxylate?
The canonical SMILES for ethyl 5-(1H-indole-6-carbonyl)-1-methyl-6,7-dihydro-4H-pyrazolo[4,3-c]pyridine-3-carboxylate is CCOC(=O)c1nn(C)c2c1CN(C(=O)c1ccc3cc[nH]c3c1)CC2.
What is the InChIKey of ethyl 5-(1H-indole-6-carbonyl)-1-methyl-6,7-dihydro-4H-pyrazolo[4,3-c]pyridine-3-carboxylate?
The InChIKey is ACKHWSIGMUJLFF-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H20N4O3/c1-3-26-19(25)17-14-11-23(9-7-16(14)22(2)21-17)18(24)13-5-4-12-6-8-20-15(12)10-13/h4-6,8,10,20H,3,7,9,11H2,1-2H3.
What are the key properties of ethyl 5-(1H-indole-6-carbonyl)-1-methyl-6,7-dihydro-4H-pyrazolo[4,3-c]pyridine-3-carboxylate?
ethyl 5-(1H-indole-6-carbonyl)-1-methyl-6,7-dihydro-4H-pyrazolo[4,3-c]pyridine-3-carboxylate has a molecular weight of 352.39 g/mol, XLogP of 2.28, 3 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for ethyl 5-(1H-indole-6-carbonyl)-1-methyl-6,7-dihydro-4H-pyrazolo[4,3-c]pyridine-3-carboxylate is sourced from PubChem (CID 26144416), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).