2-[1-[1-(2-methyl-4-pyrazol-1-ylphenyl)-2,3-dihydropyrrolo[2,3-b]pyridin-4-yl]pyrazol-3-yl]-1,3-thiazole

C23H19N7S — CID 44589205

IUPAC2-[1-[1-(2-methyl-4-pyrazol-1-ylphenyl)-2,3-dihydropyrrolo[2,3-b]pyridin-4-yl]pyrazol-3-yl]-1,3-thiazole
SMILESCc1cc(-n2cccn2)ccc1N1CCc2c(-n3ccc(-c4nccs4)n3)ccnc21
InChIInChI=1S/C23H19N7S/c1-16-15-17(29-11-2-8-26-29)3-4-20(16)28-12-6-18-21(5-9-24-22(18)28)30-13-7-19(27-30)23-25-10-14-31-23/h2-5,7-11,13-15H,6,12H2,1H3
InChIKeyIUWGZVVHKXVJDV-UHFFFAOYSA-N
MW425.52 g/mol
LogP4.58
Rot. Bonds4

About 2-[1-[1-(2-methyl-4-pyrazol-1-ylphenyl)-2,3-dihydropyrrolo[2,3-b]pyridin-4-yl]pyrazol-3-yl]-1,3-thiazole

2-[1-[1-(2-methyl-4-pyrazol-1-ylphenyl)-2,3-dihydropyrrolo[2,3-b]pyridin-4-yl]pyrazol-3-yl]-1,3-thiazole (PubChem CID 44589205) has the molecular formula C23H19N7S and a molecular weight of 425.52 g/mol. Its IUPAC name is 2-[1-[1-(2-methyl-4-pyrazol-1-ylphenyl)-2,3-dihydropyrrolo[2,3-b]pyridin-4-yl]pyrazol-3-yl]-1,3-thiazole.

Molecular Properties

Compound Name2-[1-[1-(2-methyl-4-pyrazol-1-ylphenyl)-2,3-dihydropyrrolo[2,3-b]pyridin-4-yl]pyrazol-3-yl]-1,3-thiazole
PubChem CID44589205
Molecular FormulaC23H19N7S
Molecular Weight425.52 g/mol
Exact Mass425.14
IUPAC Name2-[1-[1-(2-methyl-4-pyrazol-1-ylphenyl)-2,3-dihydropyrrolo[2,3-b]pyridin-4-yl]pyrazol-3-yl]-1,3-thiazole
SMILESCc1cc(-n2cccn2)ccc1N1CCc2c(-n3ccc(-c4nccs4)n3)ccnc21
InChIInChI=1S/C23H19N7S/c1-16-15-17(29-11-2-8-26-29)3-4-20(16)28-12-6-18-21(5-9-24-22(18)28)30-13-7-19(27-30)23-25-10-14-31-23/h2-5,7-11,13-15H,6,12H2,1H3
InChIKeyIUWGZVVHKXVJDV-UHFFFAOYSA-N
XLogP4.58
TPSA64.66 Ų
H-Bond Donors
H-Bond Acceptors8
Rotatable Bonds4
Heavy Atoms31
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500425.52
LogP ≤ 54.58
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 108

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Frequently Asked Questions

What is the IUPAC name of 2-[1-[1-(2-methyl-4-pyrazol-1-ylphenyl)-2,3-dihydropyrrolo[2,3-b]pyridin-4-yl]pyrazol-3-yl]-1,3-thiazole?
The IUPAC name of 2-[1-[1-(2-methyl-4-pyrazol-1-ylphenyl)-2,3-dihydropyrrolo[2,3-b]pyridin-4-yl]pyrazol-3-yl]-1,3-thiazole (CID 44589205) is 2-[1-[1-(2-methyl-4-pyrazol-1-ylphenyl)-2,3-dihydropyrrolo[2,3-b]pyridin-4-yl]pyrazol-3-yl]-1,3-thiazole.
What is the SMILES notation for 2-[1-[1-(2-methyl-4-pyrazol-1-ylphenyl)-2,3-dihydropyrrolo[2,3-b]pyridin-4-yl]pyrazol-3-yl]-1,3-thiazole?
The canonical SMILES for 2-[1-[1-(2-methyl-4-pyrazol-1-ylphenyl)-2,3-dihydropyrrolo[2,3-b]pyridin-4-yl]pyrazol-3-yl]-1,3-thiazole is Cc1cc(-n2cccn2)ccc1N1CCc2c(-n3ccc(-c4nccs4)n3)ccnc21.
What is the InChIKey of 2-[1-[1-(2-methyl-4-pyrazol-1-ylphenyl)-2,3-dihydropyrrolo[2,3-b]pyridin-4-yl]pyrazol-3-yl]-1,3-thiazole?
The InChIKey is IUWGZVVHKXVJDV-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H19N7S/c1-16-15-17(29-11-2-8-26-29)3-4-20(16)28-12-6-18-21(5-9-24-22(18)28)30-13-7-19(27-30)23-25-10-14-31-23/h2-5,7-11,13-15H,6,12H2,1H3.
What are the key properties of 2-[1-[1-(2-methyl-4-pyrazol-1-ylphenyl)-2,3-dihydropyrrolo[2,3-b]pyridin-4-yl]pyrazol-3-yl]-1,3-thiazole?
2-[1-[1-(2-methyl-4-pyrazol-1-ylphenyl)-2,3-dihydropyrrolo[2,3-b]pyridin-4-yl]pyrazol-3-yl]-1,3-thiazole has a molecular weight of 425.52 g/mol, XLogP of 4.58, 4 rotatable bonds, 0 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[1-[1-(2-methyl-4-pyrazol-1-ylphenyl)-2,3-dihydropyrrolo[2,3-b]pyridin-4-yl]pyrazol-3-yl]-1,3-thiazole is sourced from PubChem (CID 44589205), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).