N-[4-[4-(acetamidomethyl)phenyl]-1,3-thiazol-2-yl]-6-(furan-2-yl)-1,3-dimethylpyrazolo[5,4-b]pyridine-4-carboxamide

C25H22N6O3S — CID 16622928

IUPACN-[4-[4-(acetamidomethyl)phenyl]-1,3-thiazol-2-yl]-6-(furan-2-yl)-1,3-dimethylpyrazolo[5,4-b]pyridine-4-carboxamide
SMILESCC(=O)NCc1ccc(-c2csc(NC(=O)c3cc(-c4ccco4)nc4c3c(C)nn4C)n2)cc1
InChIInChI=1S/C25H22N6O3S/c1-14-22-18(11-19(21-5-4-10-34-21)27-23(22)31(3)30-14)24(33)29-25-28-20(13-35-25)17-8-6-16(7-9-17)12-26-15(2)32/h4-11,13H,12H2,1-3H3,(H,26,32)(H,28,29,33)
InChIKeyFZCQGKOZNFHYIG-UHFFFAOYSA-N
MW486.56 g/mol
LogP4.55
Rot. Bonds6

About N-[4-[4-(acetamidomethyl)phenyl]-1,3-thiazol-2-yl]-6-(furan-2-yl)-1,3-dimethylpyrazolo[5,4-b]pyridine-4-carboxamide

N-[4-[4-(acetamidomethyl)phenyl]-1,3-thiazol-2-yl]-6-(furan-2-yl)-1,3-dimethylpyrazolo[5,4-b]pyridine-4-carboxamide (PubChem CID 16622928) has the molecular formula C25H22N6O3S and a molecular weight of 486.56 g/mol. Its IUPAC name is N-[4-[4-(acetamidomethyl)phenyl]-1,3-thiazol-2-yl]-6-(furan-2-yl)-1,3-dimethylpyrazolo[5,4-b]pyridine-4-carboxamide.

Molecular Properties

Compound NameN-[4-[4-(acetamidomethyl)phenyl]-1,3-thiazol-2-yl]-6-(furan-2-yl)-1,3-dimethylpyrazolo[5,4-b]pyridine-4-carboxamide
PubChem CID16622928
Molecular FormulaC25H22N6O3S
Molecular Weight486.56 g/mol
Exact Mass486.15
IUPAC NameN-[4-[4-(acetamidomethyl)phenyl]-1,3-thiazol-2-yl]-6-(furan-2-yl)-1,3-dimethylpyrazolo[5,4-b]pyridine-4-carboxamide
SMILESCC(=O)NCc1ccc(-c2csc(NC(=O)c3cc(-c4ccco4)nc4c3c(C)nn4C)n2)cc1
InChIInChI=1S/C25H22N6O3S/c1-14-22-18(11-19(21-5-4-10-34-21)27-23(22)31(3)30-14)24(33)29-25-28-20(13-35-25)17-8-6-16(7-9-17)12-26-15(2)32/h4-11,13H,12H2,1-3H3,(H,26,32)(H,28,29,33)
InChIKeyFZCQGKOZNFHYIG-UHFFFAOYSA-N
XLogP4.55
TPSA114.94 Ų
H-Bond Donors2
H-Bond Acceptors8
Rotatable Bonds6
Heavy Atoms35
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500486.56
LogP ≤ 54.55
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 108

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Frequently Asked Questions

What is the IUPAC name of N-[4-[4-(acetamidomethyl)phenyl]-1,3-thiazol-2-yl]-6-(furan-2-yl)-1,3-dimethylpyrazolo[5,4-b]pyridine-4-carboxamide?
The IUPAC name of N-[4-[4-(acetamidomethyl)phenyl]-1,3-thiazol-2-yl]-6-(furan-2-yl)-1,3-dimethylpyrazolo[5,4-b]pyridine-4-carboxamide (CID 16622928) is N-[4-[4-(acetamidomethyl)phenyl]-1,3-thiazol-2-yl]-6-(furan-2-yl)-1,3-dimethylpyrazolo[5,4-b]pyridine-4-carboxamide.
What is the SMILES notation for N-[4-[4-(acetamidomethyl)phenyl]-1,3-thiazol-2-yl]-6-(furan-2-yl)-1,3-dimethylpyrazolo[5,4-b]pyridine-4-carboxamide?
The canonical SMILES for N-[4-[4-(acetamidomethyl)phenyl]-1,3-thiazol-2-yl]-6-(furan-2-yl)-1,3-dimethylpyrazolo[5,4-b]pyridine-4-carboxamide is CC(=O)NCc1ccc(-c2csc(NC(=O)c3cc(-c4ccco4)nc4c3c(C)nn4C)n2)cc1.
What is the InChIKey of N-[4-[4-(acetamidomethyl)phenyl]-1,3-thiazol-2-yl]-6-(furan-2-yl)-1,3-dimethylpyrazolo[5,4-b]pyridine-4-carboxamide?
The InChIKey is FZCQGKOZNFHYIG-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H22N6O3S/c1-14-22-18(11-19(21-5-4-10-34-21)27-23(22)31(3)30-14)24(33)29-25-28-20(13-35-25)17-8-6-16(7-9-17)12-26-15(2)32/h4-11,13H,12H2,1-3H3,(H,26,32)(H,28,29,33).
What are the key properties of N-[4-[4-(acetamidomethyl)phenyl]-1,3-thiazol-2-yl]-6-(furan-2-yl)-1,3-dimethylpyrazolo[5,4-b]pyridine-4-carboxamide?
N-[4-[4-(acetamidomethyl)phenyl]-1,3-thiazol-2-yl]-6-(furan-2-yl)-1,3-dimethylpyrazolo[5,4-b]pyridine-4-carboxamide has a molecular weight of 486.56 g/mol, XLogP of 4.55, 6 rotatable bonds, 2 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for N-[4-[4-(acetamidomethyl)phenyl]-1,3-thiazol-2-yl]-6-(furan-2-yl)-1,3-dimethylpyrazolo[5,4-b]pyridine-4-carboxamide is sourced from PubChem (CID 16622928), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).