1-(4,5-dimethyl-1H-pyrazol-3-yl)-2-[2-(2,4-dimethyl-1,3-thiazol-5-yl)-1H-pyrrolo[2,3-b]pyridin-5-yl]ethanone

C19H19N5OS — CID 157407689

IUPAC1-(4,5-dimethyl-1H-pyrazol-3-yl)-2-[2-(2,4-dimethyl-1,3-thiazol-5-yl)-1H-pyrrolo[2,3-b]pyridin-5-yl]ethanone
SMILESCc1nc(C)c(-c2cc3cc(CC(=O)c4n[nH]c(C)c4C)cnc3[nH]2)s1
InChIInChI=1S/C19H19N5OS/c1-9-10(2)23-24-17(9)16(25)6-13-5-14-7-15(22-19(14)20-8-13)18-11(3)21-12(4)26-18/h5,7-8H,6H2,1-4H3,(H,20,22)(H,23,24)
InChIKeyXDUSLZQGRQQOET-UHFFFAOYSA-N
MW365.46 g/mol
LogP4.07
Rot. Bonds4

About 1-(4,5-dimethyl-1H-pyrazol-3-yl)-2-[2-(2,4-dimethyl-1,3-thiazol-5-yl)-1H-pyrrolo[2,3-b]pyridin-5-yl]ethanone

1-(4,5-dimethyl-1H-pyrazol-3-yl)-2-[2-(2,4-dimethyl-1,3-thiazol-5-yl)-1H-pyrrolo[2,3-b]pyridin-5-yl]ethanone (PubChem CID 157407689) has the molecular formula C19H19N5OS and a molecular weight of 365.46 g/mol. Its IUPAC name is 1-(4,5-dimethyl-1H-pyrazol-3-yl)-2-[2-(2,4-dimethyl-1,3-thiazol-5-yl)-1H-pyrrolo[2,3-b]pyridin-5-yl]ethanone.

Molecular Properties

Compound Name1-(4,5-dimethyl-1H-pyrazol-3-yl)-2-[2-(2,4-dimethyl-1,3-thiazol-5-yl)-1H-pyrrolo[2,3-b]pyridin-5-yl]ethanone
PubChem CID157407689
Molecular FormulaC19H19N5OS
Molecular Weight365.46 g/mol
Exact Mass365.13
IUPAC Name1-(4,5-dimethyl-1H-pyrazol-3-yl)-2-[2-(2,4-dimethyl-1,3-thiazol-5-yl)-1H-pyrrolo[2,3-b]pyridin-5-yl]ethanone
SMILESCc1nc(C)c(-c2cc3cc(CC(=O)c4n[nH]c(C)c4C)cnc3[nH]2)s1
InChIInChI=1S/C19H19N5OS/c1-9-10(2)23-24-17(9)16(25)6-13-5-14-7-15(22-19(14)20-8-13)18-11(3)21-12(4)26-18/h5,7-8H,6H2,1-4H3,(H,20,22)(H,23,24)
InChIKeyXDUSLZQGRQQOET-UHFFFAOYSA-N
XLogP4.07
TPSA87.32 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500365.46
LogP ≤ 54.07
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

Analyze 1-(4,5-dimethyl-1H-pyrazol-3-yl)-2-[2-(2,4-dimethyl-1,3-thiazol-5-yl)-1H-pyrrolo[2,3-b]pyridin-5-yl]ethanone with MolForge

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Related Compounds

N-(2-amino-1-phenylethyl)-4-(1H-pyrazol-4-yl)-5-(1H-pyrrolo[2,3-b]pyridin-4-yl)thiophene-2-carboxamide
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5-(2,3-dimethylimidazol-4-yl)-N-(2-methyl-1,3-thiazol-5-yl)-1H-indazole-3-carboxamide
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5-[1-(6-ethylthieno[2,3-d]pyrimidin-4-yl)piperidin-3-yl]-1H-pyrazole-3-carboxamide
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1-[4-ethyl-2-methyl-5-[2-[4-(7H-pyrrolo[2,3-d]pyrimidin-5-ylmethyl)piperazin-1-yl]-1,3-thiazol-4-yl]-1H-pyrrol-3-yl]ethanone
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Frequently Asked Questions

What is the IUPAC name of 1-(4,5-dimethyl-1H-pyrazol-3-yl)-2-[2-(2,4-dimethyl-1,3-thiazol-5-yl)-1H-pyrrolo[2,3-b]pyridin-5-yl]ethanone?
The IUPAC name of 1-(4,5-dimethyl-1H-pyrazol-3-yl)-2-[2-(2,4-dimethyl-1,3-thiazol-5-yl)-1H-pyrrolo[2,3-b]pyridin-5-yl]ethanone (CID 157407689) is 1-(4,5-dimethyl-1H-pyrazol-3-yl)-2-[2-(2,4-dimethyl-1,3-thiazol-5-yl)-1H-pyrrolo[2,3-b]pyridin-5-yl]ethanone.
What is the SMILES notation for 1-(4,5-dimethyl-1H-pyrazol-3-yl)-2-[2-(2,4-dimethyl-1,3-thiazol-5-yl)-1H-pyrrolo[2,3-b]pyridin-5-yl]ethanone?
The canonical SMILES for 1-(4,5-dimethyl-1H-pyrazol-3-yl)-2-[2-(2,4-dimethyl-1,3-thiazol-5-yl)-1H-pyrrolo[2,3-b]pyridin-5-yl]ethanone is Cc1nc(C)c(-c2cc3cc(CC(=O)c4n[nH]c(C)c4C)cnc3[nH]2)s1.
What is the InChIKey of 1-(4,5-dimethyl-1H-pyrazol-3-yl)-2-[2-(2,4-dimethyl-1,3-thiazol-5-yl)-1H-pyrrolo[2,3-b]pyridin-5-yl]ethanone?
The InChIKey is XDUSLZQGRQQOET-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H19N5OS/c1-9-10(2)23-24-17(9)16(25)6-13-5-14-7-15(22-19(14)20-8-13)18-11(3)21-12(4)26-18/h5,7-8H,6H2,1-4H3,(H,20,22)(H,23,24).
What are the key properties of 1-(4,5-dimethyl-1H-pyrazol-3-yl)-2-[2-(2,4-dimethyl-1,3-thiazol-5-yl)-1H-pyrrolo[2,3-b]pyridin-5-yl]ethanone?
1-(4,5-dimethyl-1H-pyrazol-3-yl)-2-[2-(2,4-dimethyl-1,3-thiazol-5-yl)-1H-pyrrolo[2,3-b]pyridin-5-yl]ethanone has a molecular weight of 365.46 g/mol, XLogP of 4.07, 4 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(4,5-dimethyl-1H-pyrazol-3-yl)-2-[2-(2,4-dimethyl-1,3-thiazol-5-yl)-1H-pyrrolo[2,3-b]pyridin-5-yl]ethanone is sourced from PubChem (CID 157407689), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).