1-[2-[(3,4-dimethyl-1-phenylpyrazolo[5,4-b]pyridin-6-yl)amino]-6,7-dihydro-4H-[1,3]thiazolo[5,4-c]pyridin-5-yl]-3-methylbutan-1-one

C25H28N6OS — CID 108771461

IUPAC1-[2-[(3,4-dimethyl-1-phenylpyrazolo[5,4-b]pyridin-6-yl)amino]-6,7-dihydro-4H-[1,3]thiazolo[5,4-c]pyridin-5-yl]-3-methylbutan-1-one
SMILESCc1cc(Nc2nc3c(s2)CN(C(=O)CC(C)C)CC3)nc2c1c(C)nn2-c1ccccc1
InChIInChI=1S/C25H28N6OS/c1-15(2)12-22(32)30-11-10-19-20(14-30)33-25(26-19)28-21-13-16(3)23-17(4)29-31(24(23)27-21)18-8-6-5-7-9-18/h5-9,13,15H,10-12,14H2,1-4H3,(H,26,27,28)
InChIKeyMZBSJLVNFJJDOW-UHFFFAOYSA-N
MW460.61 g/mol
LogP5.17
Rot. Bonds5

About 1-[2-[(3,4-dimethyl-1-phenylpyrazolo[5,4-b]pyridin-6-yl)amino]-6,7-dihydro-4H-[1,3]thiazolo[5,4-c]pyridin-5-yl]-3-methylbutan-1-one

1-[2-[(3,4-dimethyl-1-phenylpyrazolo[5,4-b]pyridin-6-yl)amino]-6,7-dihydro-4H-[1,3]thiazolo[5,4-c]pyridin-5-yl]-3-methylbutan-1-one (PubChem CID 108771461) has the molecular formula C25H28N6OS and a molecular weight of 460.61 g/mol. Its IUPAC name is 1-[2-[(3,4-dimethyl-1-phenylpyrazolo[5,4-b]pyridin-6-yl)amino]-6,7-dihydro-4H-[1,3]thiazolo[5,4-c]pyridin-5-yl]-3-methylbutan-1-one.

Molecular Properties

Compound Name1-[2-[(3,4-dimethyl-1-phenylpyrazolo[5,4-b]pyridin-6-yl)amino]-6,7-dihydro-4H-[1,3]thiazolo[5,4-c]pyridin-5-yl]-3-methylbutan-1-one
PubChem CID108771461
Molecular FormulaC25H28N6OS
Molecular Weight460.61 g/mol
Exact Mass460.20
IUPAC Name1-[2-[(3,4-dimethyl-1-phenylpyrazolo[5,4-b]pyridin-6-yl)amino]-6,7-dihydro-4H-[1,3]thiazolo[5,4-c]pyridin-5-yl]-3-methylbutan-1-one
SMILESCc1cc(Nc2nc3c(s2)CN(C(=O)CC(C)C)CC3)nc2c1c(C)nn2-c1ccccc1
InChIInChI=1S/C25H28N6OS/c1-15(2)12-22(32)30-11-10-19-20(14-30)33-25(26-19)28-21-13-16(3)23-17(4)29-31(24(23)27-21)18-8-6-5-7-9-18/h5-9,13,15H,10-12,14H2,1-4H3,(H,26,27,28)
InChIKeyMZBSJLVNFJJDOW-UHFFFAOYSA-N
XLogP5.17
TPSA75.94 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds5
Heavy Atoms33
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500460.61
LogP ≤ 55.17
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

Analyze 1-[2-[(3,4-dimethyl-1-phenylpyrazolo[5,4-b]pyridin-6-yl)amino]-6,7-dihydro-4H-[1,3]thiazolo[5,4-c]pyridin-5-yl]-3-methylbutan-1-one with MolForge

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Related Compounds

1-[2-[(3-chloroquinoxalin-2-yl)amino]-6,7-dihydro-4H-[1,3]thiazolo[5,4-c]pyridin-5-yl]-3-methylbutan-1-one
CID 108771499
2-benzoyl-N-[5-(3-methylbutanoyl)-6,7-dihydro-4H-[1,3]thiazolo[5,4-c]pyridin-2-yl]benzamide
CID 108749780
2-(3,4-dimethylphenoxy)-N-[5-(3-methylbutanoyl)-6,7-dihydro-4H-[1,3]thiazolo[5,4-c]pyridin-2-yl]acetamide
CID 108749829
2-(4-chlorophenoxy)-N-[5-(3-methylbutanoyl)-6,7-dihydro-4H-[1,3]thiazolo[5,4-c]pyridin-2-yl]propanamide
CID 108749832
(E)-3-(4-methoxyphenyl)-N-[5-(3-methylbutanoyl)-6,7-dihydro-4H-[1,3]thiazolo[5,4-c]pyridin-2-yl]-2-phenylprop-2-enamide
CID 108749807
2-ethyl-N-[5-(3-methylbutanoyl)-6,7-dihydro-4H-[1,3]thiazolo[5,4-c]pyridin-2-yl]butanamide
CID 108725524
N-[5-(3-methylbutanoyl)-6,7-dihydro-4H-[1,3]thiazolo[5,4-c]pyridin-2-yl]pyridine-3-carboxamide
CID 108749730
N-[5-(3,3-diphenylpropanoyl)-6,7-dihydro-4H-[1,3]thiazolo[5,4-c]pyridin-2-yl]cyclopropanecarboxamide
CID 90525605
2,5-difluoro-N-[5-(3-methylbutanoyl)-6,7-dihydro-4H-[1,3]thiazolo[5,4-c]pyridin-2-yl]benzamide
CID 108725651
2-methoxy-N-[5-(3-methylbutanoyl)-6,7-dihydro-4H-[1,3]thiazolo[5,4-c]pyridin-2-yl]acetamide
CID 108725629
[3-[[5-(3-methylbutanoyl)-6,7-dihydro-4H-[1,3]thiazolo[5,4-c]pyridin-2-yl]carbamoyl]phenyl] acetate
CID 108749731
(2S)-N-benzyl-2-(3,4-dimethyl-1-phenylpyrazolo[5,4-b]pyridin-6-yl)oxypropanamide
CID 94079007

Frequently Asked Questions

What is the IUPAC name of 1-[2-[(3,4-dimethyl-1-phenylpyrazolo[5,4-b]pyridin-6-yl)amino]-6,7-dihydro-4H-[1,3]thiazolo[5,4-c]pyridin-5-yl]-3-methylbutan-1-one?
The IUPAC name of 1-[2-[(3,4-dimethyl-1-phenylpyrazolo[5,4-b]pyridin-6-yl)amino]-6,7-dihydro-4H-[1,3]thiazolo[5,4-c]pyridin-5-yl]-3-methylbutan-1-one (CID 108771461) is 1-[2-[(3,4-dimethyl-1-phenylpyrazolo[5,4-b]pyridin-6-yl)amino]-6,7-dihydro-4H-[1,3]thiazolo[5,4-c]pyridin-5-yl]-3-methylbutan-1-one.
What is the SMILES notation for 1-[2-[(3,4-dimethyl-1-phenylpyrazolo[5,4-b]pyridin-6-yl)amino]-6,7-dihydro-4H-[1,3]thiazolo[5,4-c]pyridin-5-yl]-3-methylbutan-1-one?
The canonical SMILES for 1-[2-[(3,4-dimethyl-1-phenylpyrazolo[5,4-b]pyridin-6-yl)amino]-6,7-dihydro-4H-[1,3]thiazolo[5,4-c]pyridin-5-yl]-3-methylbutan-1-one is Cc1cc(Nc2nc3c(s2)CN(C(=O)CC(C)C)CC3)nc2c1c(C)nn2-c1ccccc1.
What is the InChIKey of 1-[2-[(3,4-dimethyl-1-phenylpyrazolo[5,4-b]pyridin-6-yl)amino]-6,7-dihydro-4H-[1,3]thiazolo[5,4-c]pyridin-5-yl]-3-methylbutan-1-one?
The InChIKey is MZBSJLVNFJJDOW-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H28N6OS/c1-15(2)12-22(32)30-11-10-19-20(14-30)33-25(26-19)28-21-13-16(3)23-17(4)29-31(24(23)27-21)18-8-6-5-7-9-18/h5-9,13,15H,10-12,14H2,1-4H3,(H,26,27,28).
What are the key properties of 1-[2-[(3,4-dimethyl-1-phenylpyrazolo[5,4-b]pyridin-6-yl)amino]-6,7-dihydro-4H-[1,3]thiazolo[5,4-c]pyridin-5-yl]-3-methylbutan-1-one?
1-[2-[(3,4-dimethyl-1-phenylpyrazolo[5,4-b]pyridin-6-yl)amino]-6,7-dihydro-4H-[1,3]thiazolo[5,4-c]pyridin-5-yl]-3-methylbutan-1-one has a molecular weight of 460.61 g/mol, XLogP of 5.17, 5 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[2-[(3,4-dimethyl-1-phenylpyrazolo[5,4-b]pyridin-6-yl)amino]-6,7-dihydro-4H-[1,3]thiazolo[5,4-c]pyridin-5-yl]-3-methylbutan-1-one is sourced from PubChem (CID 108771461), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).