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

C18H18ClN5O — CID 134793381

IUPAC6-(6-chloro-3-pyridinyl)-N-cyclopentyl-1-methylpyrazolo[5,4-b]pyridine-4-carboxamide
SMILESCn1ncc2c(C(=O)NC3CCCC3)cc(-c3ccc(Cl)nc3)nc21
InChIInChI=1S/C18H18ClN5O/c1-24-17-14(10-21-24)13(18(25)22-12-4-2-3-5-12)8-15(23-17)11-6-7-16(19)20-9-11/h6-10,12H,2-5H2,1H3,(H,22,25)
InChIKeyPTFWHKRABIKHGQ-UHFFFAOYSA-N
MW355.83 g/mol
LogP3.36
Rot. Bonds3

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

6-(6-chloro-3-pyridinyl)-N-cyclopentyl-1-methylpyrazolo[5,4-b]pyridine-4-carboxamide (PubChem CID 134793381) has the molecular formula C18H18ClN5O and a molecular weight of 355.83 g/mol. Its IUPAC name is 6-(6-chloro-3-pyridinyl)-N-cyclopentyl-1-methylpyrazolo[5,4-b]pyridine-4-carboxamide.

Molecular Properties

Compound Name6-(6-chloro-3-pyridinyl)-N-cyclopentyl-1-methylpyrazolo[5,4-b]pyridine-4-carboxamide
PubChem CID134793381
Molecular FormulaC18H18ClN5O
Molecular Weight355.83 g/mol
Exact Mass355.12
IUPAC Name6-(6-chloro-3-pyridinyl)-N-cyclopentyl-1-methylpyrazolo[5,4-b]pyridine-4-carboxamide
SMILESCn1ncc2c(C(=O)NC3CCCC3)cc(-c3ccc(Cl)nc3)nc21
InChIInChI=1S/C18H18ClN5O/c1-24-17-14(10-21-24)13(18(25)22-12-4-2-3-5-12)8-15(23-17)11-6-7-16(19)20-9-11/h6-10,12H,2-5H2,1H3,(H,22,25)
InChIKeyPTFWHKRABIKHGQ-UHFFFAOYSA-N
XLogP3.36
TPSA72.70 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500355.83
LogP ≤ 53.36
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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-cyclopentyl-1-methylpyrazolo[5,4-b]pyridine-4-carboxamide?
The IUPAC name of 6-(6-chloro-3-pyridinyl)-N-cyclopentyl-1-methylpyrazolo[5,4-b]pyridine-4-carboxamide (CID 134793381) is 6-(6-chloro-3-pyridinyl)-N-cyclopentyl-1-methylpyrazolo[5,4-b]pyridine-4-carboxamide.
What is the SMILES notation for 6-(6-chloro-3-pyridinyl)-N-cyclopentyl-1-methylpyrazolo[5,4-b]pyridine-4-carboxamide?
The canonical SMILES for 6-(6-chloro-3-pyridinyl)-N-cyclopentyl-1-methylpyrazolo[5,4-b]pyridine-4-carboxamide is Cn1ncc2c(C(=O)NC3CCCC3)cc(-c3ccc(Cl)nc3)nc21.
What is the InChIKey of 6-(6-chloro-3-pyridinyl)-N-cyclopentyl-1-methylpyrazolo[5,4-b]pyridine-4-carboxamide?
The InChIKey is PTFWHKRABIKHGQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H18ClN5O/c1-24-17-14(10-21-24)13(18(25)22-12-4-2-3-5-12)8-15(23-17)11-6-7-16(19)20-9-11/h6-10,12H,2-5H2,1H3,(H,22,25).
What are the key properties of 6-(6-chloro-3-pyridinyl)-N-cyclopentyl-1-methylpyrazolo[5,4-b]pyridine-4-carboxamide?
6-(6-chloro-3-pyridinyl)-N-cyclopentyl-1-methylpyrazolo[5,4-b]pyridine-4-carboxamide has a molecular weight of 355.83 g/mol, XLogP of 3.36, 3 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 6-(6-chloro-3-pyridinyl)-N-cyclopentyl-1-methylpyrazolo[5,4-b]pyridine-4-carboxamide is sourced from PubChem (CID 134793381), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).