1-ethyl-N-[3-(5-methyltetrazol-1-yl)phenyl]-6-phenylpyrazolo[5,4-b]pyridine-4-carboxamide

C23H20N8O — CID 55677068

IUPAC1-ethyl-N-[3-(5-methyltetrazol-1-yl)phenyl]-6-phenylpyrazolo[5,4-b]pyridine-4-carboxamide
SMILESCCn1ncc2c(C(=O)Nc3cccc(-n4nnnc4C)c3)cc(-c3ccccc3)nc21
InChIInChI=1S/C23H20N8O/c1-3-30-22-20(14-24-30)19(13-21(26-22)16-8-5-4-6-9-16)23(32)25-17-10-7-11-18(12-17)31-15(2)27-28-29-31/h4-14H,3H2,1-2H3,(H,25,32)
InChIKeyZHCMNTLXBPNUAB-UHFFFAOYSA-N
MW424.47 g/mol
LogP3.65
Rot. Bonds5

About 1-ethyl-N-[3-(5-methyltetrazol-1-yl)phenyl]-6-phenylpyrazolo[5,4-b]pyridine-4-carboxamide

1-ethyl-N-[3-(5-methyltetrazol-1-yl)phenyl]-6-phenylpyrazolo[5,4-b]pyridine-4-carboxamide (PubChem CID 55677068) has the molecular formula C23H20N8O and a molecular weight of 424.47 g/mol. Its IUPAC name is 1-ethyl-N-[3-(5-methyltetrazol-1-yl)phenyl]-6-phenylpyrazolo[5,4-b]pyridine-4-carboxamide.

Molecular Properties

Compound Name1-ethyl-N-[3-(5-methyltetrazol-1-yl)phenyl]-6-phenylpyrazolo[5,4-b]pyridine-4-carboxamide
PubChem CID55677068
Molecular FormulaC23H20N8O
Molecular Weight424.47 g/mol
Exact Mass424.18
IUPAC Name1-ethyl-N-[3-(5-methyltetrazol-1-yl)phenyl]-6-phenylpyrazolo[5,4-b]pyridine-4-carboxamide
SMILESCCn1ncc2c(C(=O)Nc3cccc(-n4nnnc4C)c3)cc(-c3ccccc3)nc21
InChIInChI=1S/C23H20N8O/c1-3-30-22-20(14-24-30)19(13-21(26-22)16-8-5-4-6-9-16)23(32)25-17-10-7-11-18(12-17)31-15(2)27-28-29-31/h4-14H,3H2,1-2H3,(H,25,32)
InChIKeyZHCMNTLXBPNUAB-UHFFFAOYSA-N
XLogP3.65
TPSA103.41 Ų
H-Bond Donors1
H-Bond Acceptors8
Rotatable Bonds5
Heavy Atoms32
Complexity

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500424.47
LogP ≤ 53.65
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 108

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Frequently Asked Questions

What is the IUPAC name of 1-ethyl-N-[3-(5-methyltetrazol-1-yl)phenyl]-6-phenylpyrazolo[5,4-b]pyridine-4-carboxamide?
The IUPAC name of 1-ethyl-N-[3-(5-methyltetrazol-1-yl)phenyl]-6-phenylpyrazolo[5,4-b]pyridine-4-carboxamide (CID 55677068) is 1-ethyl-N-[3-(5-methyltetrazol-1-yl)phenyl]-6-phenylpyrazolo[5,4-b]pyridine-4-carboxamide.
What is the SMILES notation for 1-ethyl-N-[3-(5-methyltetrazol-1-yl)phenyl]-6-phenylpyrazolo[5,4-b]pyridine-4-carboxamide?
The canonical SMILES for 1-ethyl-N-[3-(5-methyltetrazol-1-yl)phenyl]-6-phenylpyrazolo[5,4-b]pyridine-4-carboxamide is CCn1ncc2c(C(=O)Nc3cccc(-n4nnnc4C)c3)cc(-c3ccccc3)nc21.
What is the InChIKey of 1-ethyl-N-[3-(5-methyltetrazol-1-yl)phenyl]-6-phenylpyrazolo[5,4-b]pyridine-4-carboxamide?
The InChIKey is ZHCMNTLXBPNUAB-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H20N8O/c1-3-30-22-20(14-24-30)19(13-21(26-22)16-8-5-4-6-9-16)23(32)25-17-10-7-11-18(12-17)31-15(2)27-28-29-31/h4-14H,3H2,1-2H3,(H,25,32).
What are the key properties of 1-ethyl-N-[3-(5-methyltetrazol-1-yl)phenyl]-6-phenylpyrazolo[5,4-b]pyridine-4-carboxamide?
1-ethyl-N-[3-(5-methyltetrazol-1-yl)phenyl]-6-phenylpyrazolo[5,4-b]pyridine-4-carboxamide has a molecular weight of 424.47 g/mol, XLogP of 3.65, 5 rotatable bonds, 1 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for 1-ethyl-N-[3-(5-methyltetrazol-1-yl)phenyl]-6-phenylpyrazolo[5,4-b]pyridine-4-carboxamide is sourced from PubChem (CID 55677068), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).