4-[6-methyl-4-[3-(1,3-thiazol-2-yl)pyrazol-1-yl]-2,3-dihydropyrrolo[2,3-b]pyridin-1-yl]-3-thiophen-2-ylbenzonitrile

C25H18N6S2 — CID 25149252

IUPAC4-[6-methyl-4-[3-(1,3-thiazol-2-yl)pyrazol-1-yl]-2,3-dihydropyrrolo[2,3-b]pyridin-1-yl]-3-thiophen-2-ylbenzonitrile
SMILESCc1cc(-n2ccc(-c3nccs3)n2)c2c(n1)N(c1ccc(C#N)cc1-c1cccs1)CC2
InChIInChI=1S/C25H18N6S2/c1-16-13-22(31-10-7-20(29-31)25-27-8-12-33-25)18-6-9-30(24(18)28-16)21-5-4-17(15-26)14-19(21)23-3-2-11-32-23/h2-5,7-8,10-14H,6,9H2,1H3
InChIKeyLBEAKZWSJITAAT-UHFFFAOYSA-N
MW466.60 g/mol
LogP5.99
Rot. Bonds4

About 4-[6-methyl-4-[3-(1,3-thiazol-2-yl)pyrazol-1-yl]-2,3-dihydropyrrolo[2,3-b]pyridin-1-yl]-3-thiophen-2-ylbenzonitrile

4-[6-methyl-4-[3-(1,3-thiazol-2-yl)pyrazol-1-yl]-2,3-dihydropyrrolo[2,3-b]pyridin-1-yl]-3-thiophen-2-ylbenzonitrile (PubChem CID 25149252) has the molecular formula C25H18N6S2 and a molecular weight of 466.60 g/mol. Its IUPAC name is 4-[6-methyl-4-[3-(1,3-thiazol-2-yl)pyrazol-1-yl]-2,3-dihydropyrrolo[2,3-b]pyridin-1-yl]-3-thiophen-2-ylbenzonitrile.

Molecular Properties

Compound Name4-[6-methyl-4-[3-(1,3-thiazol-2-yl)pyrazol-1-yl]-2,3-dihydropyrrolo[2,3-b]pyridin-1-yl]-3-thiophen-2-ylbenzonitrile
PubChem CID25149252
Molecular FormulaC25H18N6S2
Molecular Weight466.60 g/mol
Exact Mass466.10
IUPAC Name4-[6-methyl-4-[3-(1,3-thiazol-2-yl)pyrazol-1-yl]-2,3-dihydropyrrolo[2,3-b]pyridin-1-yl]-3-thiophen-2-ylbenzonitrile
SMILESCc1cc(-n2ccc(-c3nccs3)n2)c2c(n1)N(c1ccc(C#N)cc1-c1cccs1)CC2
InChIInChI=1S/C25H18N6S2/c1-16-13-22(31-10-7-20(29-31)25-27-8-12-33-25)18-6-9-30(24(18)28-16)21-5-4-17(15-26)14-19(21)23-3-2-11-32-23/h2-5,7-8,10-14H,6,9H2,1H3
InChIKeyLBEAKZWSJITAAT-UHFFFAOYSA-N
XLogP5.99
TPSA70.63 Ų
H-Bond Donors
H-Bond Acceptors8
Rotatable Bonds4
Heavy Atoms33
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500466.60
LogP ≤ 55.99
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 108

Analyze 4-[6-methyl-4-[3-(1,3-thiazol-2-yl)pyrazol-1-yl]-2,3-dihydropyrrolo[2,3-b]pyridin-1-yl]-3-thiophen-2-ylbenzonitrile with MolForge

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Related Compounds

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4-[4-[3-[3-[(4-methoxyphenyl)methyl]-2-oxoimidazolidin-1-yl]pyrazol-1-yl]-6-methyl-2,3-dihydropyrrolo[2,3-b]pyridin-1-yl]-3-(trifluoromethyl)benzonitrile
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Frequently Asked Questions

What is the IUPAC name of 4-[6-methyl-4-[3-(1,3-thiazol-2-yl)pyrazol-1-yl]-2,3-dihydropyrrolo[2,3-b]pyridin-1-yl]-3-thiophen-2-ylbenzonitrile?
The IUPAC name of 4-[6-methyl-4-[3-(1,3-thiazol-2-yl)pyrazol-1-yl]-2,3-dihydropyrrolo[2,3-b]pyridin-1-yl]-3-thiophen-2-ylbenzonitrile (CID 25149252) is 4-[6-methyl-4-[3-(1,3-thiazol-2-yl)pyrazol-1-yl]-2,3-dihydropyrrolo[2,3-b]pyridin-1-yl]-3-thiophen-2-ylbenzonitrile.
What is the SMILES notation for 4-[6-methyl-4-[3-(1,3-thiazol-2-yl)pyrazol-1-yl]-2,3-dihydropyrrolo[2,3-b]pyridin-1-yl]-3-thiophen-2-ylbenzonitrile?
The canonical SMILES for 4-[6-methyl-4-[3-(1,3-thiazol-2-yl)pyrazol-1-yl]-2,3-dihydropyrrolo[2,3-b]pyridin-1-yl]-3-thiophen-2-ylbenzonitrile is Cc1cc(-n2ccc(-c3nccs3)n2)c2c(n1)N(c1ccc(C#N)cc1-c1cccs1)CC2.
What is the InChIKey of 4-[6-methyl-4-[3-(1,3-thiazol-2-yl)pyrazol-1-yl]-2,3-dihydropyrrolo[2,3-b]pyridin-1-yl]-3-thiophen-2-ylbenzonitrile?
The InChIKey is LBEAKZWSJITAAT-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H18N6S2/c1-16-13-22(31-10-7-20(29-31)25-27-8-12-33-25)18-6-9-30(24(18)28-16)21-5-4-17(15-26)14-19(21)23-3-2-11-32-23/h2-5,7-8,10-14H,6,9H2,1H3.
What are the key properties of 4-[6-methyl-4-[3-(1,3-thiazol-2-yl)pyrazol-1-yl]-2,3-dihydropyrrolo[2,3-b]pyridin-1-yl]-3-thiophen-2-ylbenzonitrile?
4-[6-methyl-4-[3-(1,3-thiazol-2-yl)pyrazol-1-yl]-2,3-dihydropyrrolo[2,3-b]pyridin-1-yl]-3-thiophen-2-ylbenzonitrile has a molecular weight of 466.60 g/mol, XLogP of 5.99, 4 rotatable bonds, 0 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[6-methyl-4-[3-(1,3-thiazol-2-yl)pyrazol-1-yl]-2,3-dihydropyrrolo[2,3-b]pyridin-1-yl]-3-thiophen-2-ylbenzonitrile is sourced from PubChem (CID 25149252), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).