N-[[4-[2-[(3,4-dimethyl-1-phenylpyrazolo[5,4-b]pyridin-6-yl)amino]-1,3-thiazol-4-yl]phenyl]methyl]acetamide

C26H24N6OS — CID 108776302

IUPACN-[[4-[2-[(3,4-dimethyl-1-phenylpyrazolo[5,4-b]pyridin-6-yl)amino]-1,3-thiazol-4-yl]phenyl]methyl]acetamide
SMILESCC(=O)NCc1ccc(-c2csc(Nc3cc(C)c4c(C)nn(-c5ccccc5)c4n3)n2)cc1
InChIInChI=1S/C26H24N6OS/c1-16-13-23(29-25-24(16)17(2)31-32(25)21-7-5-4-6-8-21)30-26-28-22(15-34-26)20-11-9-19(10-12-20)14-27-18(3)33/h4-13,15H,14H2,1-3H3,(H,27,33)(H,28,29,30)
InChIKeyBYYSBDJZUFMVKA-UHFFFAOYSA-N
MW468.59 g/mol
LogP5.54
Rot. Bonds6

About N-[[4-[2-[(3,4-dimethyl-1-phenylpyrazolo[5,4-b]pyridin-6-yl)amino]-1,3-thiazol-4-yl]phenyl]methyl]acetamide

N-[[4-[2-[(3,4-dimethyl-1-phenylpyrazolo[5,4-b]pyridin-6-yl)amino]-1,3-thiazol-4-yl]phenyl]methyl]acetamide (PubChem CID 108776302) has the molecular formula C26H24N6OS and a molecular weight of 468.59 g/mol. Its IUPAC name is N-[[4-[2-[(3,4-dimethyl-1-phenylpyrazolo[5,4-b]pyridin-6-yl)amino]-1,3-thiazol-4-yl]phenyl]methyl]acetamide.

Molecular Properties

Compound NameN-[[4-[2-[(3,4-dimethyl-1-phenylpyrazolo[5,4-b]pyridin-6-yl)amino]-1,3-thiazol-4-yl]phenyl]methyl]acetamide
PubChem CID108776302
Molecular FormulaC26H24N6OS
Molecular Weight468.59 g/mol
Exact Mass468.17
IUPAC NameN-[[4-[2-[(3,4-dimethyl-1-phenylpyrazolo[5,4-b]pyridin-6-yl)amino]-1,3-thiazol-4-yl]phenyl]methyl]acetamide
SMILESCC(=O)NCc1ccc(-c2csc(Nc3cc(C)c4c(C)nn(-c5ccccc5)c4n3)n2)cc1
InChIInChI=1S/C26H24N6OS/c1-16-13-23(29-25-24(16)17(2)31-32(25)21-7-5-4-6-8-21)30-26-28-22(15-34-26)20-11-9-19(10-12-20)14-27-18(3)33/h4-13,15H,14H2,1-3H3,(H,27,33)(H,28,29,30)
InChIKeyBYYSBDJZUFMVKA-UHFFFAOYSA-N
XLogP5.54
TPSA84.73 Ų
H-Bond Donors2
H-Bond Acceptors7
Rotatable Bonds6
Heavy Atoms34
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500468.59
LogP ≤ 55.54
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 107

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Related Compounds

N-[[4-[2-[(2-chloro-6-methylpyrimidin-4-yl)amino]-1,3-thiazol-4-yl]phenyl]methyl]acetamide
CID 108776313
N-[[4-[2-(3-fluoro-4-methylanilino)-1,3-thiazol-4-yl]phenyl]methyl]acetamide
CID 24505657
N-[4-[4-(acetamidomethyl)phenyl]-1,3-thiazol-2-yl]-2-phenylacetamide
CID 108762419
3,6-dimethyl-1-phenyl-N-(4-phenyl-1,3-thiazol-2-yl)pyrazolo[3,4-b]pyridine-4-carboxamide
CID 44822880
(2S)-N-benzyl-2-(3,4-dimethyl-1-phenylpyrazolo[5,4-b]pyridin-6-yl)oxypropanamide
CID 94079007
(2R)-N-benzyl-2-(3,4-dimethyl-1-phenylpyrazolo[5,4-b]pyridin-6-yl)oxypropanamide
CID 94079008
N-[[4-[2-(3-methoxyanilino)-1,3-thiazol-4-yl]phenyl]methyl]acetamide
CID 9343570
2-(3,4-dimethyl-1-phenylpyrazolo[5,4-b]pyridin-6-yl)oxy-N-[(4-methoxyphenyl)methyl]propanamide
CID 50791329
ethyl N-[4-[4-(acetamidomethyl)phenyl]-1,3-thiazol-2-yl]carbamate
CID 108739772
N-[4-[4-(acetamidomethyl)phenyl]-1,3-thiazol-2-yl]-3-(1,3,4,6-tetramethylpyrazolo[5,4-b]pyridin-5-yl)propanamide
CID 24618427
N-[[4-[2-(1,3-benzoxazol-2-ylamino)-1,3-thiazol-4-yl]phenyl]methyl]acetamide
CID 108776305
N-[[4-[2-(4-methoxyanilino)-1,3-thiazol-4-yl]phenyl]methyl]acetamide
CID 9343440

Frequently Asked Questions

What is the IUPAC name of N-[[4-[2-[(3,4-dimethyl-1-phenylpyrazolo[5,4-b]pyridin-6-yl)amino]-1,3-thiazol-4-yl]phenyl]methyl]acetamide?
The IUPAC name of N-[[4-[2-[(3,4-dimethyl-1-phenylpyrazolo[5,4-b]pyridin-6-yl)amino]-1,3-thiazol-4-yl]phenyl]methyl]acetamide (CID 108776302) is N-[[4-[2-[(3,4-dimethyl-1-phenylpyrazolo[5,4-b]pyridin-6-yl)amino]-1,3-thiazol-4-yl]phenyl]methyl]acetamide.
What is the SMILES notation for N-[[4-[2-[(3,4-dimethyl-1-phenylpyrazolo[5,4-b]pyridin-6-yl)amino]-1,3-thiazol-4-yl]phenyl]methyl]acetamide?
The canonical SMILES for N-[[4-[2-[(3,4-dimethyl-1-phenylpyrazolo[5,4-b]pyridin-6-yl)amino]-1,3-thiazol-4-yl]phenyl]methyl]acetamide is CC(=O)NCc1ccc(-c2csc(Nc3cc(C)c4c(C)nn(-c5ccccc5)c4n3)n2)cc1.
What is the InChIKey of N-[[4-[2-[(3,4-dimethyl-1-phenylpyrazolo[5,4-b]pyridin-6-yl)amino]-1,3-thiazol-4-yl]phenyl]methyl]acetamide?
The InChIKey is BYYSBDJZUFMVKA-UHFFFAOYSA-N. The full InChI is InChI=1S/C26H24N6OS/c1-16-13-23(29-25-24(16)17(2)31-32(25)21-7-5-4-6-8-21)30-26-28-22(15-34-26)20-11-9-19(10-12-20)14-27-18(3)33/h4-13,15H,14H2,1-3H3,(H,27,33)(H,28,29,30).
What are the key properties of N-[[4-[2-[(3,4-dimethyl-1-phenylpyrazolo[5,4-b]pyridin-6-yl)amino]-1,3-thiazol-4-yl]phenyl]methyl]acetamide?
N-[[4-[2-[(3,4-dimethyl-1-phenylpyrazolo[5,4-b]pyridin-6-yl)amino]-1,3-thiazol-4-yl]phenyl]methyl]acetamide has a molecular weight of 468.59 g/mol, XLogP of 5.54, 6 rotatable bonds, 2 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for N-[[4-[2-[(3,4-dimethyl-1-phenylpyrazolo[5,4-b]pyridin-6-yl)amino]-1,3-thiazol-4-yl]phenyl]methyl]acetamide is sourced from PubChem (CID 108776302), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).