6-(2-chlorophenyl)-N-(3-pyrrolidin-1-ylpropyl)-1H-pyrazolo[5,4-b]pyridine-4-carboxamide

C20H22ClN5O — CID 162643288

IUPAC6-(2-chlorophenyl)-N-(3-pyrrolidin-1-ylpropyl)-1H-pyrazolo[5,4-b]pyridine-4-carboxamide
SMILESO=C(NCCCN1CCCC1)c1cc(-c2ccccc2Cl)nc2[nH]ncc12
InChIInChI=1S/C20H22ClN5O/c21-17-7-2-1-6-14(17)18-12-15(16-13-23-25-19(16)24-18)20(27)22-8-5-11-26-9-3-4-10-26/h1-2,6-7,12-13H,3-5,8-11H2,(H,22,27)(H,23,24,25)
InChIKeyHSHKWFFHJKFLNK-UHFFFAOYSA-N
MW383.88 g/mol
LogP3.49
Rot. Bonds6

About 6-(2-chlorophenyl)-N-(3-pyrrolidin-1-ylpropyl)-1H-pyrazolo[5,4-b]pyridine-4-carboxamide

6-(2-chlorophenyl)-N-(3-pyrrolidin-1-ylpropyl)-1H-pyrazolo[5,4-b]pyridine-4-carboxamide (PubChem CID 162643288) has the molecular formula C20H22ClN5O and a molecular weight of 383.88 g/mol. Its IUPAC name is 6-(2-chlorophenyl)-N-(3-pyrrolidin-1-ylpropyl)-1H-pyrazolo[5,4-b]pyridine-4-carboxamide.

Molecular Properties

Compound Name6-(2-chlorophenyl)-N-(3-pyrrolidin-1-ylpropyl)-1H-pyrazolo[5,4-b]pyridine-4-carboxamide
PubChem CID162643288
Molecular FormulaC20H22ClN5O
Molecular Weight383.88 g/mol
Exact Mass383.15
IUPAC Name6-(2-chlorophenyl)-N-(3-pyrrolidin-1-ylpropyl)-1H-pyrazolo[5,4-b]pyridine-4-carboxamide
SMILESO=C(NCCCN1CCCC1)c1cc(-c2ccccc2Cl)nc2[nH]ncc12
InChIInChI=1S/C20H22ClN5O/c21-17-7-2-1-6-14(17)18-12-15(16-13-23-25-19(16)24-18)20(27)22-8-5-11-26-9-3-4-10-26/h1-2,6-7,12-13H,3-5,8-11H2,(H,22,27)(H,23,24,25)
InChIKeyHSHKWFFHJKFLNK-UHFFFAOYSA-N
XLogP3.49
TPSA73.91 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500383.88
LogP ≤ 53.49
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 6-(2-chlorophenyl)-N-(3-pyrrolidin-1-ylpropyl)-1H-pyrazolo[5,4-b]pyridine-4-carboxamide?
The IUPAC name of 6-(2-chlorophenyl)-N-(3-pyrrolidin-1-ylpropyl)-1H-pyrazolo[5,4-b]pyridine-4-carboxamide (CID 162643288) is 6-(2-chlorophenyl)-N-(3-pyrrolidin-1-ylpropyl)-1H-pyrazolo[5,4-b]pyridine-4-carboxamide.
What is the SMILES notation for 6-(2-chlorophenyl)-N-(3-pyrrolidin-1-ylpropyl)-1H-pyrazolo[5,4-b]pyridine-4-carboxamide?
The canonical SMILES for 6-(2-chlorophenyl)-N-(3-pyrrolidin-1-ylpropyl)-1H-pyrazolo[5,4-b]pyridine-4-carboxamide is O=C(NCCCN1CCCC1)c1cc(-c2ccccc2Cl)nc2[nH]ncc12.
What is the InChIKey of 6-(2-chlorophenyl)-N-(3-pyrrolidin-1-ylpropyl)-1H-pyrazolo[5,4-b]pyridine-4-carboxamide?
The InChIKey is HSHKWFFHJKFLNK-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H22ClN5O/c21-17-7-2-1-6-14(17)18-12-15(16-13-23-25-19(16)24-18)20(27)22-8-5-11-26-9-3-4-10-26/h1-2,6-7,12-13H,3-5,8-11H2,(H,22,27)(H,23,24,25).
What are the key properties of 6-(2-chlorophenyl)-N-(3-pyrrolidin-1-ylpropyl)-1H-pyrazolo[5,4-b]pyridine-4-carboxamide?
6-(2-chlorophenyl)-N-(3-pyrrolidin-1-ylpropyl)-1H-pyrazolo[5,4-b]pyridine-4-carboxamide has a molecular weight of 383.88 g/mol, XLogP of 3.49, 6 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 6-(2-chlorophenyl)-N-(3-pyrrolidin-1-ylpropyl)-1H-pyrazolo[5,4-b]pyridine-4-carboxamide is sourced from PubChem (CID 162643288), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).