4-chloro-1-[(3-chloroquinolin-6-yl)methyl]pyrazolo[4,3-c]pyridine-3-carboxamide

C17H11Cl2N5O — CID 135354732

IUPAC4-chloro-1-[(3-chloroquinolin-6-yl)methyl]pyrazolo[4,3-c]pyridine-3-carboxamide
SMILESNC(=O)c1nn(Cc2ccc3ncc(Cl)cc3c2)c2ccnc(Cl)c12
InChIInChI=1S/C17H11Cl2N5O/c18-11-6-10-5-9(1-2-12(10)22-7-11)8-24-13-3-4-21-16(19)14(13)15(23-24)17(20)25/h1-7H,8H2,(H2,20,25)
InChIKeyCSHSCGFTMFGZFM-UHFFFAOYSA-N
MW372.22 g/mol
LogP3.43
Rot. Bonds3

About 4-chloro-1-[(3-chloroquinolin-6-yl)methyl]pyrazolo[4,3-c]pyridine-3-carboxamide

4-chloro-1-[(3-chloroquinolin-6-yl)methyl]pyrazolo[4,3-c]pyridine-3-carboxamide (PubChem CID 135354732) has the molecular formula C17H11Cl2N5O and a molecular weight of 372.22 g/mol. Its IUPAC name is 4-chloro-1-[(3-chloroquinolin-6-yl)methyl]pyrazolo[4,3-c]pyridine-3-carboxamide.

Molecular Properties

Compound Name4-chloro-1-[(3-chloroquinolin-6-yl)methyl]pyrazolo[4,3-c]pyridine-3-carboxamide
PubChem CID135354732
Molecular FormulaC17H11Cl2N5O
Molecular Weight372.22 g/mol
Exact Mass371.03
IUPAC Name4-chloro-1-[(3-chloroquinolin-6-yl)methyl]pyrazolo[4,3-c]pyridine-3-carboxamide
SMILESNC(=O)c1nn(Cc2ccc3ncc(Cl)cc3c2)c2ccnc(Cl)c12
InChIInChI=1S/C17H11Cl2N5O/c18-11-6-10-5-9(1-2-12(10)22-7-11)8-24-13-3-4-21-16(19)14(13)15(23-24)17(20)25/h1-7H,8H2,(H2,20,25)
InChIKeyCSHSCGFTMFGZFM-UHFFFAOYSA-N
XLogP3.43
TPSA86.69 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500372.22
LogP ≤ 53.43
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 4-chloro-1-[(3-chloroquinolin-6-yl)methyl]pyrazolo[4,3-c]pyridine-3-carboxamide?
The IUPAC name of 4-chloro-1-[(3-chloroquinolin-6-yl)methyl]pyrazolo[4,3-c]pyridine-3-carboxamide (CID 135354732) is 4-chloro-1-[(3-chloroquinolin-6-yl)methyl]pyrazolo[4,3-c]pyridine-3-carboxamide.
What is the SMILES notation for 4-chloro-1-[(3-chloroquinolin-6-yl)methyl]pyrazolo[4,3-c]pyridine-3-carboxamide?
The canonical SMILES for 4-chloro-1-[(3-chloroquinolin-6-yl)methyl]pyrazolo[4,3-c]pyridine-3-carboxamide is NC(=O)c1nn(Cc2ccc3ncc(Cl)cc3c2)c2ccnc(Cl)c12.
What is the InChIKey of 4-chloro-1-[(3-chloroquinolin-6-yl)methyl]pyrazolo[4,3-c]pyridine-3-carboxamide?
The InChIKey is CSHSCGFTMFGZFM-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H11Cl2N5O/c18-11-6-10-5-9(1-2-12(10)22-7-11)8-24-13-3-4-21-16(19)14(13)15(23-24)17(20)25/h1-7H,8H2,(H2,20,25).
What are the key properties of 4-chloro-1-[(3-chloroquinolin-6-yl)methyl]pyrazolo[4,3-c]pyridine-3-carboxamide?
4-chloro-1-[(3-chloroquinolin-6-yl)methyl]pyrazolo[4,3-c]pyridine-3-carboxamide has a molecular weight of 372.22 g/mol, XLogP of 3.43, 3 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 4-chloro-1-[(3-chloroquinolin-6-yl)methyl]pyrazolo[4,3-c]pyridine-3-carboxamide is sourced from PubChem (CID 135354732), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).