N-[4-[4-(acetamidomethyl)phenyl]-1,3-thiazol-2-yl]-3-(1,3,4,6-tetramethylpyrazolo[5,4-b]pyridin-5-yl)propanamide

C25H28N6O2S — CID 24618427

IUPACN-[4-[4-(acetamidomethyl)phenyl]-1,3-thiazol-2-yl]-3-(1,3,4,6-tetramethylpyrazolo[5,4-b]pyridin-5-yl)propanamide
SMILESCC(=O)NCc1ccc(-c2csc(NC(=O)CCc3c(C)nc4c(c(C)nn4C)c3C)n2)cc1
InChIInChI=1S/C25H28N6O2S/c1-14-20(15(2)27-24-23(14)16(3)30-31(24)5)10-11-22(33)29-25-28-21(13-34-25)19-8-6-18(7-9-19)12-26-17(4)32/h6-9,13H,10-12H2,1-5H3,(H,26,32)(H,28,29,33)
InChIKeyFYDFOYJIWVAFDL-UHFFFAOYSA-N
MW476.61 g/mol
LogP4.22
Rot. Bonds7

About N-[4-[4-(acetamidomethyl)phenyl]-1,3-thiazol-2-yl]-3-(1,3,4,6-tetramethylpyrazolo[5,4-b]pyridin-5-yl)propanamide

N-[4-[4-(acetamidomethyl)phenyl]-1,3-thiazol-2-yl]-3-(1,3,4,6-tetramethylpyrazolo[5,4-b]pyridin-5-yl)propanamide (PubChem CID 24618427) has the molecular formula C25H28N6O2S and a molecular weight of 476.61 g/mol. Its IUPAC name is N-[4-[4-(acetamidomethyl)phenyl]-1,3-thiazol-2-yl]-3-(1,3,4,6-tetramethylpyrazolo[5,4-b]pyridin-5-yl)propanamide.

Molecular Properties

Compound NameN-[4-[4-(acetamidomethyl)phenyl]-1,3-thiazol-2-yl]-3-(1,3,4,6-tetramethylpyrazolo[5,4-b]pyridin-5-yl)propanamide
PubChem CID24618427
Molecular FormulaC25H28N6O2S
Molecular Weight476.61 g/mol
Exact Mass476.20
IUPAC NameN-[4-[4-(acetamidomethyl)phenyl]-1,3-thiazol-2-yl]-3-(1,3,4,6-tetramethylpyrazolo[5,4-b]pyridin-5-yl)propanamide
SMILESCC(=O)NCc1ccc(-c2csc(NC(=O)CCc3c(C)nc4c(c(C)nn4C)c3C)n2)cc1
InChIInChI=1S/C25H28N6O2S/c1-14-20(15(2)27-24-23(14)16(3)30-31(24)5)10-11-22(33)29-25-28-21(13-34-25)19-8-6-18(7-9-19)12-26-17(4)32/h6-9,13H,10-12H2,1-5H3,(H,26,32)(H,28,29,33)
InChIKeyFYDFOYJIWVAFDL-UHFFFAOYSA-N
XLogP4.22
TPSA101.80 Ų
H-Bond Donors2
H-Bond Acceptors7
Rotatable Bonds7
Heavy Atoms34
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500476.61
LogP ≤ 54.22
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 107

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Related Compounds

N-[4-[4-(acetamidomethyl)phenyl]-1,3-thiazol-2-yl]-3-[3,5-dimethyl-1-(2-methylpropyl)pyrazol-4-yl]propanamide
CID 43018460
N-[4-[4-(acetamidomethyl)phenyl]-1,3-thiazol-2-yl]-3-(1,2,4-triazol-1-yl)propanamide
CID 31347334
N-(4-methylphenyl)-3-(1,3,4,6-tetramethylpyrazolo[5,4-b]pyridin-5-yl)propanamide
CID 23604260
N-[4-[4-(acetamidomethyl)phenyl]-1,3-thiazol-2-yl]-3-(4-acetyl-5-methylfuran-2-yl)propanamide
CID 24506095
N-[4-[4-(acetamidomethyl)phenyl]-1,3-thiazol-2-yl]-3-(4-methylphenoxy)propanamide
CID 31893475
N-[4-[4-(acetamidomethyl)phenyl]-1,3-thiazol-2-yl]-2-phenylacetamide
CID 108762419
N-[4-[4-(acetamidomethyl)phenyl]-1,3-thiazol-2-yl]-2,2,2-trifluoroacetamide
CID 108762412
ethyl N-[4-[4-(acetamidomethyl)phenyl]-1,3-thiazol-2-yl]carbamate
CID 108739772
N-[4-[4-(3-acetamidopropyl)phenyl]-1,3-thiazol-2-yl]-3-(5,7-dimethyl-[1,2,4]triazolo[1,5-a]pyrimidin-6-yl)propanamide
CID 36531555
N-[2-[[4-[4-(acetamidomethyl)phenyl]-1,3-thiazol-2-yl]amino]-2-oxoethyl]-4-chlorobenzamide
CID 108762417
N-[4-[4-(acetamidomethyl)phenyl]-1,3-thiazol-2-yl]-4-(4-chlorophenoxy)butanamide
CID 108762469
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

Frequently Asked Questions

What is the IUPAC name of N-[4-[4-(acetamidomethyl)phenyl]-1,3-thiazol-2-yl]-3-(1,3,4,6-tetramethylpyrazolo[5,4-b]pyridin-5-yl)propanamide?
The IUPAC name of 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) is N-[4-[4-(acetamidomethyl)phenyl]-1,3-thiazol-2-yl]-3-(1,3,4,6-tetramethylpyrazolo[5,4-b]pyridin-5-yl)propanamide.
What is the SMILES notation for N-[4-[4-(acetamidomethyl)phenyl]-1,3-thiazol-2-yl]-3-(1,3,4,6-tetramethylpyrazolo[5,4-b]pyridin-5-yl)propanamide?
The canonical SMILES for N-[4-[4-(acetamidomethyl)phenyl]-1,3-thiazol-2-yl]-3-(1,3,4,6-tetramethylpyrazolo[5,4-b]pyridin-5-yl)propanamide is CC(=O)NCc1ccc(-c2csc(NC(=O)CCc3c(C)nc4c(c(C)nn4C)c3C)n2)cc1.
What is the InChIKey of N-[4-[4-(acetamidomethyl)phenyl]-1,3-thiazol-2-yl]-3-(1,3,4,6-tetramethylpyrazolo[5,4-b]pyridin-5-yl)propanamide?
The InChIKey is FYDFOYJIWVAFDL-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H28N6O2S/c1-14-20(15(2)27-24-23(14)16(3)30-31(24)5)10-11-22(33)29-25-28-21(13-34-25)19-8-6-18(7-9-19)12-26-17(4)32/h6-9,13H,10-12H2,1-5H3,(H,26,32)(H,28,29,33).
What are the key properties of N-[4-[4-(acetamidomethyl)phenyl]-1,3-thiazol-2-yl]-3-(1,3,4,6-tetramethylpyrazolo[5,4-b]pyridin-5-yl)propanamide?
N-[4-[4-(acetamidomethyl)phenyl]-1,3-thiazol-2-yl]-3-(1,3,4,6-tetramethylpyrazolo[5,4-b]pyridin-5-yl)propanamide has a molecular weight of 476.61 g/mol, XLogP of 4.22, 7 rotatable bonds, 2 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for N-[4-[4-(acetamidomethyl)phenyl]-1,3-thiazol-2-yl]-3-(1,3,4,6-tetramethylpyrazolo[5,4-b]pyridin-5-yl)propanamide is sourced from PubChem (CID 24618427), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).