6-cyclopropyl-N-[2-(2-ethylanilino)-2-oxoethyl]-1-propan-2-ylpyrazolo[5,4-b]pyridine-4-carboxamide

C23H27N5O2 — CID 9357710

IUPAC6-cyclopropyl-N-[2-(2-ethylanilino)-2-oxoethyl]-1-propan-2-ylpyrazolo[5,4-b]pyridine-4-carboxamide
SMILESCCc1ccccc1NC(=O)CNC(=O)c1cc(C2CC2)nc2c1cnn2C(C)C
InChIInChI=1S/C23H27N5O2/c1-4-15-7-5-6-8-19(15)26-21(29)13-24-23(30)17-11-20(16-9-10-16)27-22-18(17)12-25-28(22)14(2)3/h5-8,11-12,14,16H,4,9-10,13H2,1-3H3,(H,24,30)(H,26,29)
InChIKeyKLQZTDXXDIHAMV-UHFFFAOYSA-N
MW405.50 g/mol
LogP3.82
Rot. Bonds7

About 6-cyclopropyl-N-[2-(2-ethylanilino)-2-oxoethyl]-1-propan-2-ylpyrazolo[5,4-b]pyridine-4-carboxamide

6-cyclopropyl-N-[2-(2-ethylanilino)-2-oxoethyl]-1-propan-2-ylpyrazolo[5,4-b]pyridine-4-carboxamide (PubChem CID 9357710) has the molecular formula C23H27N5O2 and a molecular weight of 405.50 g/mol. Its IUPAC name is 6-cyclopropyl-N-[2-(2-ethylanilino)-2-oxoethyl]-1-propan-2-ylpyrazolo[5,4-b]pyridine-4-carboxamide.

Molecular Properties

Compound Name6-cyclopropyl-N-[2-(2-ethylanilino)-2-oxoethyl]-1-propan-2-ylpyrazolo[5,4-b]pyridine-4-carboxamide
PubChem CID9357710
Molecular FormulaC23H27N5O2
Molecular Weight405.50 g/mol
Exact Mass405.22
IUPAC Name6-cyclopropyl-N-[2-(2-ethylanilino)-2-oxoethyl]-1-propan-2-ylpyrazolo[5,4-b]pyridine-4-carboxamide
SMILESCCc1ccccc1NC(=O)CNC(=O)c1cc(C2CC2)nc2c1cnn2C(C)C
InChIInChI=1S/C23H27N5O2/c1-4-15-7-5-6-8-19(15)26-21(29)13-24-23(30)17-11-20(16-9-10-16)27-22-18(17)12-25-28(22)14(2)3/h5-8,11-12,14,16H,4,9-10,13H2,1-3H3,(H,24,30)(H,26,29)
InChIKeyKLQZTDXXDIHAMV-UHFFFAOYSA-N
XLogP3.82
TPSA88.91 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds7
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500405.50
LogP ≤ 53.82
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 6-cyclopropyl-N-[2-(2-ethylanilino)-2-oxoethyl]-1-propan-2-ylpyrazolo[5,4-b]pyridine-4-carboxamide?
The IUPAC name of 6-cyclopropyl-N-[2-(2-ethylanilino)-2-oxoethyl]-1-propan-2-ylpyrazolo[5,4-b]pyridine-4-carboxamide (CID 9357710) is 6-cyclopropyl-N-[2-(2-ethylanilino)-2-oxoethyl]-1-propan-2-ylpyrazolo[5,4-b]pyridine-4-carboxamide.
What is the SMILES notation for 6-cyclopropyl-N-[2-(2-ethylanilino)-2-oxoethyl]-1-propan-2-ylpyrazolo[5,4-b]pyridine-4-carboxamide?
The canonical SMILES for 6-cyclopropyl-N-[2-(2-ethylanilino)-2-oxoethyl]-1-propan-2-ylpyrazolo[5,4-b]pyridine-4-carboxamide is CCc1ccccc1NC(=O)CNC(=O)c1cc(C2CC2)nc2c1cnn2C(C)C.
What is the InChIKey of 6-cyclopropyl-N-[2-(2-ethylanilino)-2-oxoethyl]-1-propan-2-ylpyrazolo[5,4-b]pyridine-4-carboxamide?
The InChIKey is KLQZTDXXDIHAMV-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H27N5O2/c1-4-15-7-5-6-8-19(15)26-21(29)13-24-23(30)17-11-20(16-9-10-16)27-22-18(17)12-25-28(22)14(2)3/h5-8,11-12,14,16H,4,9-10,13H2,1-3H3,(H,24,30)(H,26,29).
What are the key properties of 6-cyclopropyl-N-[2-(2-ethylanilino)-2-oxoethyl]-1-propan-2-ylpyrazolo[5,4-b]pyridine-4-carboxamide?
6-cyclopropyl-N-[2-(2-ethylanilino)-2-oxoethyl]-1-propan-2-ylpyrazolo[5,4-b]pyridine-4-carboxamide has a molecular weight of 405.50 g/mol, XLogP of 3.82, 7 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 6-cyclopropyl-N-[2-(2-ethylanilino)-2-oxoethyl]-1-propan-2-ylpyrazolo[5,4-b]pyridine-4-carboxamide is sourced from PubChem (CID 9357710), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).