N-(4-chlorophenyl)-6-(furan-2-yl)-1,3-dimethyl-N-(pyridin-2-ylmethyl)pyrazolo[5,4-b]pyridine-4-carboxamide

C25H20ClN5O2 — CID 55888960

IUPACN-(4-chlorophenyl)-6-(furan-2-yl)-1,3-dimethyl-N-(pyridin-2-ylmethyl)pyrazolo[5,4-b]pyridine-4-carboxamide
SMILESCc1nn(C)c2nc(-c3ccco3)cc(C(=O)N(Cc3ccccn3)c3ccc(Cl)cc3)c12
InChIInChI=1S/C25H20ClN5O2/c1-16-23-20(14-21(22-7-5-13-33-22)28-24(23)30(2)29-16)25(32)31(15-18-6-3-4-12-27-18)19-10-8-17(26)9-11-19/h3-14H,15H2,1-2H3
InChIKeyNKZNQSAXGHQQEL-UHFFFAOYSA-N
MW457.92 g/mol
LogP5.43
Rot. Bonds5

About N-(4-chlorophenyl)-6-(furan-2-yl)-1,3-dimethyl-N-(pyridin-2-ylmethyl)pyrazolo[5,4-b]pyridine-4-carboxamide

N-(4-chlorophenyl)-6-(furan-2-yl)-1,3-dimethyl-N-(pyridin-2-ylmethyl)pyrazolo[5,4-b]pyridine-4-carboxamide (PubChem CID 55888960) has the molecular formula C25H20ClN5O2 and a molecular weight of 457.92 g/mol. Its IUPAC name is N-(4-chlorophenyl)-6-(furan-2-yl)-1,3-dimethyl-N-(pyridin-2-ylmethyl)pyrazolo[5,4-b]pyridine-4-carboxamide.

Molecular Properties

Compound NameN-(4-chlorophenyl)-6-(furan-2-yl)-1,3-dimethyl-N-(pyridin-2-ylmethyl)pyrazolo[5,4-b]pyridine-4-carboxamide
PubChem CID55888960
Molecular FormulaC25H20ClN5O2
Molecular Weight457.92 g/mol
Exact Mass457.13
IUPAC NameN-(4-chlorophenyl)-6-(furan-2-yl)-1,3-dimethyl-N-(pyridin-2-ylmethyl)pyrazolo[5,4-b]pyridine-4-carboxamide
SMILESCc1nn(C)c2nc(-c3ccco3)cc(C(=O)N(Cc3ccccn3)c3ccc(Cl)cc3)c12
InChIInChI=1S/C25H20ClN5O2/c1-16-23-20(14-21(22-7-5-13-33-22)28-24(23)30(2)29-16)25(32)31(15-18-6-3-4-12-27-18)19-10-8-17(26)9-11-19/h3-14H,15H2,1-2H3
InChIKeyNKZNQSAXGHQQEL-UHFFFAOYSA-N
XLogP5.43
TPSA77.05 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms33
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500457.92
LogP ≤ 55.43
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

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Related Compounds

N-(2,4-difluorophenyl)-1,3-dimethyl-6-phenyl-N-(pyridin-2-ylmethyl)pyrazolo[5,4-b]pyridine-4-carboxamide
CID 55889629
N-(4-bromophenyl)-6-cyclopropyl-1,3-dimethyl-N-(pyridin-2-ylmethyl)pyrazolo[5,4-b]pyridine-4-carboxamide
CID 55886615
6-(furan-2-yl)-1,3-dimethyl-N-[2-(2-methylpropanoylamino)ethyl]pyrazolo[5,4-b]pyridine-4-carboxamide
CID 33122675
N-[[2-(diethylaminomethyl)phenyl]methyl]-6-(furan-2-yl)-1,3-dimethylpyrazolo[5,4-b]pyridine-4-carboxamide
CID 55520262
6-(furan-2-yl)-N,1,3-trimethyl-N-(1-methylpiperidin-4-yl)pyrazolo[5,4-b]pyridine-4-carboxamide
CID 44823438
6-(furan-2-yl)-1,3-dimethyl-N-naphthalen-1-ylpyrazolo[5,4-b]pyridine-4-carboxamide
CID 16620803
N-[5-chloro-2-(2,2,2-trifluoroethoxy)phenyl]-6-(furan-2-yl)-1,3-dimethylpyrazolo[5,4-b]pyridine-4-carboxamide
CID 55521268
diethyl 2-[[6-(furan-2-yl)-1,3-dimethylpyrazolo[5,4-b]pyridine-4-carbonyl]amino]propanedioate
CID 55513345
6-(furan-2-yl)-1,3-dimethyl-N-(pyridin-3-ylmethyl)pyrazolo[5,4-b]pyridine-4-carboxamide
CID 37172394
6-(furan-2-yl)-1,3-dimethyl-N-(4-phenylbutan-2-yl)pyrazolo[5,4-b]pyridine-4-carboxamide
CID 46508693
azepan-1-yl-[6-(furan-2-yl)-1,3-dimethylpyrazolo[5,4-b]pyridin-4-yl]methanone
CID 35184700
6-(furan-2-yl)-1,3-dimethyl-N-(4-methylphenyl)pyrazolo[5,4-b]pyridine-4-carboxamide
CID 16609317

Frequently Asked Questions

What is the IUPAC name of N-(4-chlorophenyl)-6-(furan-2-yl)-1,3-dimethyl-N-(pyridin-2-ylmethyl)pyrazolo[5,4-b]pyridine-4-carboxamide?
The IUPAC name of N-(4-chlorophenyl)-6-(furan-2-yl)-1,3-dimethyl-N-(pyridin-2-ylmethyl)pyrazolo[5,4-b]pyridine-4-carboxamide (CID 55888960) is N-(4-chlorophenyl)-6-(furan-2-yl)-1,3-dimethyl-N-(pyridin-2-ylmethyl)pyrazolo[5,4-b]pyridine-4-carboxamide.
What is the SMILES notation for N-(4-chlorophenyl)-6-(furan-2-yl)-1,3-dimethyl-N-(pyridin-2-ylmethyl)pyrazolo[5,4-b]pyridine-4-carboxamide?
The canonical SMILES for N-(4-chlorophenyl)-6-(furan-2-yl)-1,3-dimethyl-N-(pyridin-2-ylmethyl)pyrazolo[5,4-b]pyridine-4-carboxamide is Cc1nn(C)c2nc(-c3ccco3)cc(C(=O)N(Cc3ccccn3)c3ccc(Cl)cc3)c12.
What is the InChIKey of N-(4-chlorophenyl)-6-(furan-2-yl)-1,3-dimethyl-N-(pyridin-2-ylmethyl)pyrazolo[5,4-b]pyridine-4-carboxamide?
The InChIKey is NKZNQSAXGHQQEL-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H20ClN5O2/c1-16-23-20(14-21(22-7-5-13-33-22)28-24(23)30(2)29-16)25(32)31(15-18-6-3-4-12-27-18)19-10-8-17(26)9-11-19/h3-14H,15H2,1-2H3.
What are the key properties of N-(4-chlorophenyl)-6-(furan-2-yl)-1,3-dimethyl-N-(pyridin-2-ylmethyl)pyrazolo[5,4-b]pyridine-4-carboxamide?
N-(4-chlorophenyl)-6-(furan-2-yl)-1,3-dimethyl-N-(pyridin-2-ylmethyl)pyrazolo[5,4-b]pyridine-4-carboxamide has a molecular weight of 457.92 g/mol, XLogP of 5.43, 5 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-(4-chlorophenyl)-6-(furan-2-yl)-1,3-dimethyl-N-(pyridin-2-ylmethyl)pyrazolo[5,4-b]pyridine-4-carboxamide is sourced from PubChem (CID 55888960), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).