6-(6-chloro-3-pyridinyl)-N-[(3-methoxyphenyl)methyl]-1-methylpyrazolo[5,4-b]pyridine-4-carboxamide

C21H18ClN5O2 — CID 134792638

IUPAC6-(6-chloro-3-pyridinyl)-N-[(3-methoxyphenyl)methyl]-1-methylpyrazolo[5,4-b]pyridine-4-carboxamide
SMILESCOc1cccc(CNC(=O)c2cc(-c3ccc(Cl)nc3)nc3c2cnn3C)c1
InChIInChI=1S/C21H18ClN5O2/c1-27-20-17(12-25-27)16(9-18(26-20)14-6-7-19(22)23-11-14)21(28)24-10-13-4-3-5-15(8-13)29-2/h3-9,11-12H,10H2,1-2H3,(H,24,28)
InChIKeyXLINREZPKGRANO-UHFFFAOYSA-N
MW407.86 g/mol
LogP3.62
Rot. Bonds5

About 6-(6-chloro-3-pyridinyl)-N-[(3-methoxyphenyl)methyl]-1-methylpyrazolo[5,4-b]pyridine-4-carboxamide

6-(6-chloro-3-pyridinyl)-N-[(3-methoxyphenyl)methyl]-1-methylpyrazolo[5,4-b]pyridine-4-carboxamide (PubChem CID 134792638) has the molecular formula C21H18ClN5O2 and a molecular weight of 407.86 g/mol. Its IUPAC name is 6-(6-chloro-3-pyridinyl)-N-[(3-methoxyphenyl)methyl]-1-methylpyrazolo[5,4-b]pyridine-4-carboxamide.

Molecular Properties

Compound Name6-(6-chloro-3-pyridinyl)-N-[(3-methoxyphenyl)methyl]-1-methylpyrazolo[5,4-b]pyridine-4-carboxamide
PubChem CID134792638
Molecular FormulaC21H18ClN5O2
Molecular Weight407.86 g/mol
Exact Mass407.11
IUPAC Name6-(6-chloro-3-pyridinyl)-N-[(3-methoxyphenyl)methyl]-1-methylpyrazolo[5,4-b]pyridine-4-carboxamide
SMILESCOc1cccc(CNC(=O)c2cc(-c3ccc(Cl)nc3)nc3c2cnn3C)c1
InChIInChI=1S/C21H18ClN5O2/c1-27-20-17(12-25-27)16(9-18(26-20)14-6-7-19(22)23-11-14)21(28)24-10-13-4-3-5-15(8-13)29-2/h3-9,11-12H,10H2,1-2H3,(H,24,28)
InChIKeyXLINREZPKGRANO-UHFFFAOYSA-N
XLogP3.62
TPSA81.93 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500407.86
LogP ≤ 53.62
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

Structural Alerts{'alert_name': '2-halo_pyridine', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 6-(6-chloro-3-pyridinyl)-N-[(3-methoxyphenyl)methyl]-1-methylpyrazolo[5,4-b]pyridine-4-carboxamide?
The IUPAC name of 6-(6-chloro-3-pyridinyl)-N-[(3-methoxyphenyl)methyl]-1-methylpyrazolo[5,4-b]pyridine-4-carboxamide (CID 134792638) is 6-(6-chloro-3-pyridinyl)-N-[(3-methoxyphenyl)methyl]-1-methylpyrazolo[5,4-b]pyridine-4-carboxamide.
What is the SMILES notation for 6-(6-chloro-3-pyridinyl)-N-[(3-methoxyphenyl)methyl]-1-methylpyrazolo[5,4-b]pyridine-4-carboxamide?
The canonical SMILES for 6-(6-chloro-3-pyridinyl)-N-[(3-methoxyphenyl)methyl]-1-methylpyrazolo[5,4-b]pyridine-4-carboxamide is COc1cccc(CNC(=O)c2cc(-c3ccc(Cl)nc3)nc3c2cnn3C)c1.
What is the InChIKey of 6-(6-chloro-3-pyridinyl)-N-[(3-methoxyphenyl)methyl]-1-methylpyrazolo[5,4-b]pyridine-4-carboxamide?
The InChIKey is XLINREZPKGRANO-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H18ClN5O2/c1-27-20-17(12-25-27)16(9-18(26-20)14-6-7-19(22)23-11-14)21(28)24-10-13-4-3-5-15(8-13)29-2/h3-9,11-12H,10H2,1-2H3,(H,24,28).
What are the key properties of 6-(6-chloro-3-pyridinyl)-N-[(3-methoxyphenyl)methyl]-1-methylpyrazolo[5,4-b]pyridine-4-carboxamide?
6-(6-chloro-3-pyridinyl)-N-[(3-methoxyphenyl)methyl]-1-methylpyrazolo[5,4-b]pyridine-4-carboxamide has a molecular weight of 407.86 g/mol, XLogP of 3.62, 5 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 6-(6-chloro-3-pyridinyl)-N-[(3-methoxyphenyl)methyl]-1-methylpyrazolo[5,4-b]pyridine-4-carboxamide is sourced from PubChem (CID 134792638), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).