N-cyclopropyl-1-ethyl-N-[(2-fluorophenyl)methyl]-6-thiophen-2-ylpyrazolo[5,4-b]pyridine-4-carboxamide

C23H21FN4OS — CID 30175201

IUPACN-cyclopropyl-1-ethyl-N-[(2-fluorophenyl)methyl]-6-thiophen-2-ylpyrazolo[5,4-b]pyridine-4-carboxamide
SMILESCCn1ncc2c(C(=O)N(Cc3ccccc3F)C3CC3)cc(-c3cccs3)nc21
InChIInChI=1S/C23H21FN4OS/c1-2-28-22-18(13-25-28)17(12-20(26-22)21-8-5-11-30-21)23(29)27(16-9-10-16)14-15-6-3-4-7-19(15)24/h3-8,11-13,16H,2,9-10,14H2,1H3
InChIKeyNZKAQPXHKAQGJM-UHFFFAOYSA-N
MW420.51 g/mol
LogP5.12
Rot. Bonds6

About N-cyclopropyl-1-ethyl-N-[(2-fluorophenyl)methyl]-6-thiophen-2-ylpyrazolo[5,4-b]pyridine-4-carboxamide

N-cyclopropyl-1-ethyl-N-[(2-fluorophenyl)methyl]-6-thiophen-2-ylpyrazolo[5,4-b]pyridine-4-carboxamide (PubChem CID 30175201) has the molecular formula C23H21FN4OS and a molecular weight of 420.51 g/mol. Its IUPAC name is N-cyclopropyl-1-ethyl-N-[(2-fluorophenyl)methyl]-6-thiophen-2-ylpyrazolo[5,4-b]pyridine-4-carboxamide.

Molecular Properties

Compound NameN-cyclopropyl-1-ethyl-N-[(2-fluorophenyl)methyl]-6-thiophen-2-ylpyrazolo[5,4-b]pyridine-4-carboxamide
PubChem CID30175201
Molecular FormulaC23H21FN4OS
Molecular Weight420.51 g/mol
Exact Mass420.14
IUPAC NameN-cyclopropyl-1-ethyl-N-[(2-fluorophenyl)methyl]-6-thiophen-2-ylpyrazolo[5,4-b]pyridine-4-carboxamide
SMILESCCn1ncc2c(C(=O)N(Cc3ccccc3F)C3CC3)cc(-c3cccs3)nc21
InChIInChI=1S/C23H21FN4OS/c1-2-28-22-18(13-25-28)17(12-20(26-22)21-8-5-11-30-21)23(29)27(16-9-10-16)14-15-6-3-4-7-19(15)24/h3-8,11-13,16H,2,9-10,14H2,1H3
InChIKeyNZKAQPXHKAQGJM-UHFFFAOYSA-N
XLogP5.12
TPSA51.02 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms30
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500420.51
LogP ≤ 55.12
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of N-cyclopropyl-1-ethyl-N-[(2-fluorophenyl)methyl]-6-thiophen-2-ylpyrazolo[5,4-b]pyridine-4-carboxamide?
The IUPAC name of N-cyclopropyl-1-ethyl-N-[(2-fluorophenyl)methyl]-6-thiophen-2-ylpyrazolo[5,4-b]pyridine-4-carboxamide (CID 30175201) is N-cyclopropyl-1-ethyl-N-[(2-fluorophenyl)methyl]-6-thiophen-2-ylpyrazolo[5,4-b]pyridine-4-carboxamide.
What is the SMILES notation for N-cyclopropyl-1-ethyl-N-[(2-fluorophenyl)methyl]-6-thiophen-2-ylpyrazolo[5,4-b]pyridine-4-carboxamide?
The canonical SMILES for N-cyclopropyl-1-ethyl-N-[(2-fluorophenyl)methyl]-6-thiophen-2-ylpyrazolo[5,4-b]pyridine-4-carboxamide is CCn1ncc2c(C(=O)N(Cc3ccccc3F)C3CC3)cc(-c3cccs3)nc21.
What is the InChIKey of N-cyclopropyl-1-ethyl-N-[(2-fluorophenyl)methyl]-6-thiophen-2-ylpyrazolo[5,4-b]pyridine-4-carboxamide?
The InChIKey is NZKAQPXHKAQGJM-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H21FN4OS/c1-2-28-22-18(13-25-28)17(12-20(26-22)21-8-5-11-30-21)23(29)27(16-9-10-16)14-15-6-3-4-7-19(15)24/h3-8,11-13,16H,2,9-10,14H2,1H3.
What are the key properties of N-cyclopropyl-1-ethyl-N-[(2-fluorophenyl)methyl]-6-thiophen-2-ylpyrazolo[5,4-b]pyridine-4-carboxamide?
N-cyclopropyl-1-ethyl-N-[(2-fluorophenyl)methyl]-6-thiophen-2-ylpyrazolo[5,4-b]pyridine-4-carboxamide has a molecular weight of 420.51 g/mol, XLogP of 5.12, 6 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-cyclopropyl-1-ethyl-N-[(2-fluorophenyl)methyl]-6-thiophen-2-ylpyrazolo[5,4-b]pyridine-4-carboxamide is sourced from PubChem (CID 30175201), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).