N-(5-butyl-1H-pyrazol-3-yl)-6-chloro-1H-pyrazolo[5,4-b]pyridine-4-carboxamide

C14H15ClN6O — CID 167875941

IUPACN-(5-butyl-1H-pyrazol-3-yl)-6-chloro-1H-pyrazolo[5,4-b]pyridine-4-carboxamide
SMILESCCCCc1cc(NC(=O)c2cc(Cl)nc3[nH]ncc23)n[nH]1
InChIInChI=1S/C14H15ClN6O/c1-2-3-4-8-5-12(20-19-8)18-14(22)9-6-11(15)17-13-10(9)7-16-21-13/h5-7H,2-4H2,1H3,(H,16,17,21)(H2,18,19,20,22)
InChIKeyJSJSINHYTHOJCL-UHFFFAOYSA-N
MW318.77 g/mol
LogP2.93
Rot. Bonds5

About N-(5-butyl-1H-pyrazol-3-yl)-6-chloro-1H-pyrazolo[5,4-b]pyridine-4-carboxamide

N-(5-butyl-1H-pyrazol-3-yl)-6-chloro-1H-pyrazolo[5,4-b]pyridine-4-carboxamide (PubChem CID 167875941) has the molecular formula C14H15ClN6O and a molecular weight of 318.77 g/mol. Its IUPAC name is N-(5-butyl-1H-pyrazol-3-yl)-6-chloro-1H-pyrazolo[5,4-b]pyridine-4-carboxamide.

Molecular Properties

Compound NameN-(5-butyl-1H-pyrazol-3-yl)-6-chloro-1H-pyrazolo[5,4-b]pyridine-4-carboxamide
PubChem CID167875941
Molecular FormulaC14H15ClN6O
Molecular Weight318.77 g/mol
Exact Mass318.10
IUPAC NameN-(5-butyl-1H-pyrazol-3-yl)-6-chloro-1H-pyrazolo[5,4-b]pyridine-4-carboxamide
SMILESCCCCc1cc(NC(=O)c2cc(Cl)nc3[nH]ncc23)n[nH]1
InChIInChI=1S/C14H15ClN6O/c1-2-3-4-8-5-12(20-19-8)18-14(22)9-6-11(15)17-13-10(9)7-16-21-13/h5-7H,2-4H2,1H3,(H,16,17,21)(H2,18,19,20,22)
InChIKeyJSJSINHYTHOJCL-UHFFFAOYSA-N
XLogP2.93
TPSA99.35 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500318.77
LogP ≤ 52.93
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

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 N-(5-butyl-1H-pyrazol-3-yl)-6-chloro-1H-pyrazolo[5,4-b]pyridine-4-carboxamide?
The IUPAC name of N-(5-butyl-1H-pyrazol-3-yl)-6-chloro-1H-pyrazolo[5,4-b]pyridine-4-carboxamide (CID 167875941) is N-(5-butyl-1H-pyrazol-3-yl)-6-chloro-1H-pyrazolo[5,4-b]pyridine-4-carboxamide.
What is the SMILES notation for N-(5-butyl-1H-pyrazol-3-yl)-6-chloro-1H-pyrazolo[5,4-b]pyridine-4-carboxamide?
The canonical SMILES for N-(5-butyl-1H-pyrazol-3-yl)-6-chloro-1H-pyrazolo[5,4-b]pyridine-4-carboxamide is CCCCc1cc(NC(=O)c2cc(Cl)nc3[nH]ncc23)n[nH]1.
What is the InChIKey of N-(5-butyl-1H-pyrazol-3-yl)-6-chloro-1H-pyrazolo[5,4-b]pyridine-4-carboxamide?
The InChIKey is JSJSINHYTHOJCL-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H15ClN6O/c1-2-3-4-8-5-12(20-19-8)18-14(22)9-6-11(15)17-13-10(9)7-16-21-13/h5-7H,2-4H2,1H3,(H,16,17,21)(H2,18,19,20,22).
What are the key properties of N-(5-butyl-1H-pyrazol-3-yl)-6-chloro-1H-pyrazolo[5,4-b]pyridine-4-carboxamide?
N-(5-butyl-1H-pyrazol-3-yl)-6-chloro-1H-pyrazolo[5,4-b]pyridine-4-carboxamide has a molecular weight of 318.77 g/mol, XLogP of 2.93, 5 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-(5-butyl-1H-pyrazol-3-yl)-6-chloro-1H-pyrazolo[5,4-b]pyridine-4-carboxamide is sourced from PubChem (CID 167875941), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).