2-(2,4-dichlorophenyl)-1-methyl-5-(1H-pyrrolo[2,3-b]pyridin-4-yl)pyrrole-3-carbonitrile

C19H12Cl2N4 — CID 165391936

IUPAC2-(2,4-dichlorophenyl)-1-methyl-5-(1H-pyrrolo[2,3-b]pyridin-4-yl)pyrrole-3-carbonitrile
SMILESCn1c(-c2ccnc3[nH]ccc23)cc(C#N)c1-c1ccc(Cl)cc1Cl
InChIInChI=1S/C19H12Cl2N4/c1-25-17(13-4-6-23-19-14(13)5-7-24-19)8-11(10-22)18(25)15-3-2-12(20)9-16(15)21/h2-9H,1H3,(H,23,24)
InChIKeyAFTWBDQBPNZEBC-UHFFFAOYSA-N
MW367.24 g/mol
LogP5.41
Rot. Bonds2

About 2-(2,4-dichlorophenyl)-1-methyl-5-(1H-pyrrolo[2,3-b]pyridin-4-yl)pyrrole-3-carbonitrile

2-(2,4-dichlorophenyl)-1-methyl-5-(1H-pyrrolo[2,3-b]pyridin-4-yl)pyrrole-3-carbonitrile (PubChem CID 165391936) has the molecular formula C19H12Cl2N4 and a molecular weight of 367.24 g/mol. Its IUPAC name is 2-(2,4-dichlorophenyl)-1-methyl-5-(1H-pyrrolo[2,3-b]pyridin-4-yl)pyrrole-3-carbonitrile.

Molecular Properties

Compound Name2-(2,4-dichlorophenyl)-1-methyl-5-(1H-pyrrolo[2,3-b]pyridin-4-yl)pyrrole-3-carbonitrile
PubChem CID165391936
Molecular FormulaC19H12Cl2N4
Molecular Weight367.24 g/mol
Exact Mass366.04
IUPAC Name2-(2,4-dichlorophenyl)-1-methyl-5-(1H-pyrrolo[2,3-b]pyridin-4-yl)pyrrole-3-carbonitrile
SMILESCn1c(-c2ccnc3[nH]ccc23)cc(C#N)c1-c1ccc(Cl)cc1Cl
InChIInChI=1S/C19H12Cl2N4/c1-25-17(13-4-6-23-19-14(13)5-7-24-19)8-11(10-22)18(25)15-3-2-12(20)9-16(15)21/h2-9H,1H3,(H,23,24)
InChIKeyAFTWBDQBPNZEBC-UHFFFAOYSA-N
XLogP5.41
TPSA57.40 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms25
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500367.24
LogP ≤ 55.41
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 2-(2,4-dichlorophenyl)-1-methyl-5-(1H-pyrrolo[2,3-b]pyridin-4-yl)pyrrole-3-carbonitrile?
The IUPAC name of 2-(2,4-dichlorophenyl)-1-methyl-5-(1H-pyrrolo[2,3-b]pyridin-4-yl)pyrrole-3-carbonitrile (CID 165391936) is 2-(2,4-dichlorophenyl)-1-methyl-5-(1H-pyrrolo[2,3-b]pyridin-4-yl)pyrrole-3-carbonitrile.
What is the SMILES notation for 2-(2,4-dichlorophenyl)-1-methyl-5-(1H-pyrrolo[2,3-b]pyridin-4-yl)pyrrole-3-carbonitrile?
The canonical SMILES for 2-(2,4-dichlorophenyl)-1-methyl-5-(1H-pyrrolo[2,3-b]pyridin-4-yl)pyrrole-3-carbonitrile is Cn1c(-c2ccnc3[nH]ccc23)cc(C#N)c1-c1ccc(Cl)cc1Cl.
What is the InChIKey of 2-(2,4-dichlorophenyl)-1-methyl-5-(1H-pyrrolo[2,3-b]pyridin-4-yl)pyrrole-3-carbonitrile?
The InChIKey is AFTWBDQBPNZEBC-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H12Cl2N4/c1-25-17(13-4-6-23-19-14(13)5-7-24-19)8-11(10-22)18(25)15-3-2-12(20)9-16(15)21/h2-9H,1H3,(H,23,24).
What are the key properties of 2-(2,4-dichlorophenyl)-1-methyl-5-(1H-pyrrolo[2,3-b]pyridin-4-yl)pyrrole-3-carbonitrile?
2-(2,4-dichlorophenyl)-1-methyl-5-(1H-pyrrolo[2,3-b]pyridin-4-yl)pyrrole-3-carbonitrile has a molecular weight of 367.24 g/mol, XLogP of 5.41, 2 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(2,4-dichlorophenyl)-1-methyl-5-(1H-pyrrolo[2,3-b]pyridin-4-yl)pyrrole-3-carbonitrile is sourced from PubChem (CID 165391936), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).