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

C22H26N4O2 — CID 9357707

IUPAC6-cyclopropyl-N-[2-(4-methoxyphenyl)ethyl]-1-propan-2-ylpyrazolo[5,4-b]pyridine-4-carboxamide
SMILESCOc1ccc(CCNC(=O)c2cc(C3CC3)nc3c2cnn3C(C)C)cc1
InChIInChI=1S/C22H26N4O2/c1-14(2)26-21-19(13-24-26)18(12-20(25-21)16-6-7-16)22(27)23-11-10-15-4-8-17(28-3)9-5-15/h4-5,8-9,12-14,16H,6-7,10-11H2,1-3H3,(H,23,27)
InChIKeyNLXWFYWMQDJUIW-UHFFFAOYSA-N
MW378.48 g/mol
LogP3.87
Rot. Bonds7

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

6-cyclopropyl-N-[2-(4-methoxyphenyl)ethyl]-1-propan-2-ylpyrazolo[5,4-b]pyridine-4-carboxamide (PubChem CID 9357707) has the molecular formula C22H26N4O2 and a molecular weight of 378.48 g/mol. Its IUPAC name is 6-cyclopropyl-N-[2-(4-methoxyphenyl)ethyl]-1-propan-2-ylpyrazolo[5,4-b]pyridine-4-carboxamide.

Molecular Properties

Compound Name6-cyclopropyl-N-[2-(4-methoxyphenyl)ethyl]-1-propan-2-ylpyrazolo[5,4-b]pyridine-4-carboxamide
PubChem CID9357707
Molecular FormulaC22H26N4O2
Molecular Weight378.48 g/mol
Exact Mass378.21
IUPAC Name6-cyclopropyl-N-[2-(4-methoxyphenyl)ethyl]-1-propan-2-ylpyrazolo[5,4-b]pyridine-4-carboxamide
SMILESCOc1ccc(CCNC(=O)c2cc(C3CC3)nc3c2cnn3C(C)C)cc1
InChIInChI=1S/C22H26N4O2/c1-14(2)26-21-19(13-24-26)18(12-20(25-21)16-6-7-16)22(27)23-11-10-15-4-8-17(28-3)9-5-15/h4-5,8-9,12-14,16H,6-7,10-11H2,1-3H3,(H,23,27)
InChIKeyNLXWFYWMQDJUIW-UHFFFAOYSA-N
XLogP3.87
TPSA69.04 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds7
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500378.48
LogP ≤ 53.87
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 6-cyclopropyl-N-[2-(4-methoxyphenyl)ethyl]-1-propan-2-ylpyrazolo[5,4-b]pyridine-4-carboxamide?
The IUPAC name of 6-cyclopropyl-N-[2-(4-methoxyphenyl)ethyl]-1-propan-2-ylpyrazolo[5,4-b]pyridine-4-carboxamide (CID 9357707) is 6-cyclopropyl-N-[2-(4-methoxyphenyl)ethyl]-1-propan-2-ylpyrazolo[5,4-b]pyridine-4-carboxamide.
What is the SMILES notation for 6-cyclopropyl-N-[2-(4-methoxyphenyl)ethyl]-1-propan-2-ylpyrazolo[5,4-b]pyridine-4-carboxamide?
The canonical SMILES for 6-cyclopropyl-N-[2-(4-methoxyphenyl)ethyl]-1-propan-2-ylpyrazolo[5,4-b]pyridine-4-carboxamide is COc1ccc(CCNC(=O)c2cc(C3CC3)nc3c2cnn3C(C)C)cc1.
What is the InChIKey of 6-cyclopropyl-N-[2-(4-methoxyphenyl)ethyl]-1-propan-2-ylpyrazolo[5,4-b]pyridine-4-carboxamide?
The InChIKey is NLXWFYWMQDJUIW-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H26N4O2/c1-14(2)26-21-19(13-24-26)18(12-20(25-21)16-6-7-16)22(27)23-11-10-15-4-8-17(28-3)9-5-15/h4-5,8-9,12-14,16H,6-7,10-11H2,1-3H3,(H,23,27).
What are the key properties of 6-cyclopropyl-N-[2-(4-methoxyphenyl)ethyl]-1-propan-2-ylpyrazolo[5,4-b]pyridine-4-carboxamide?
6-cyclopropyl-N-[2-(4-methoxyphenyl)ethyl]-1-propan-2-ylpyrazolo[5,4-b]pyridine-4-carboxamide has a molecular weight of 378.48 g/mol, XLogP of 3.87, 7 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 6-cyclopropyl-N-[2-(4-methoxyphenyl)ethyl]-1-propan-2-ylpyrazolo[5,4-b]pyridine-4-carboxamide is sourced from PubChem (CID 9357707), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).