N-[4-[3-(5-chlorothiophen-2-yl)-1H-pyrrolo[3,2-b]pyridin-2-yl]-2-pyridinyl]-2-(4-fluorophenyl)acetamide

C24H16ClFN4OS — CID 162687604

IUPACN-[4-[3-(5-chlorothiophen-2-yl)-1H-pyrrolo[3,2-b]pyridin-2-yl]-2-pyridinyl]-2-(4-fluorophenyl)acetamide
SMILESO=C(Cc1ccc(F)cc1)Nc1cc(-c2[nH]c3cccnc3c2-c2ccc(Cl)s2)ccn1
InChIInChI=1S/C24H16ClFN4OS/c25-19-8-7-18(32-19)22-23(29-17-2-1-10-28-24(17)22)15-9-11-27-20(13-15)30-21(31)12-14-3-5-16(26)6-4-14/h1-11,13,29H,12H2,(H,27,30,31)
InChIKeyUSMHWTKVCMQLRC-UHFFFAOYSA-N
MW462.94 g/mol
LogP6.33
Rot. Bonds5

About N-[4-[3-(5-chlorothiophen-2-yl)-1H-pyrrolo[3,2-b]pyridin-2-yl]-2-pyridinyl]-2-(4-fluorophenyl)acetamide

N-[4-[3-(5-chlorothiophen-2-yl)-1H-pyrrolo[3,2-b]pyridin-2-yl]-2-pyridinyl]-2-(4-fluorophenyl)acetamide (PubChem CID 162687604) has the molecular formula C24H16ClFN4OS and a molecular weight of 462.94 g/mol. Its IUPAC name is N-[4-[3-(5-chlorothiophen-2-yl)-1H-pyrrolo[3,2-b]pyridin-2-yl]-2-pyridinyl]-2-(4-fluorophenyl)acetamide.

Molecular Properties

Compound NameN-[4-[3-(5-chlorothiophen-2-yl)-1H-pyrrolo[3,2-b]pyridin-2-yl]-2-pyridinyl]-2-(4-fluorophenyl)acetamide
PubChem CID162687604
Molecular FormulaC24H16ClFN4OS
Molecular Weight462.94 g/mol
Exact Mass462.07
IUPAC NameN-[4-[3-(5-chlorothiophen-2-yl)-1H-pyrrolo[3,2-b]pyridin-2-yl]-2-pyridinyl]-2-(4-fluorophenyl)acetamide
SMILESO=C(Cc1ccc(F)cc1)Nc1cc(-c2[nH]c3cccnc3c2-c2ccc(Cl)s2)ccn1
InChIInChI=1S/C24H16ClFN4OS/c25-19-8-7-18(32-19)22-23(29-17-2-1-10-28-24(17)22)15-9-11-27-20(13-15)30-21(31)12-14-3-5-16(26)6-4-14/h1-11,13,29H,12H2,(H,27,30,31)
InChIKeyUSMHWTKVCMQLRC-UHFFFAOYSA-N
XLogP6.33
TPSA70.67 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms32
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500462.94
LogP ≤ 56.33
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Analyze N-[4-[3-(5-chlorothiophen-2-yl)-1H-pyrrolo[3,2-b]pyridin-2-yl]-2-pyridinyl]-2-(4-fluorophenyl)acetamide with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of N-[4-[3-(5-chlorothiophen-2-yl)-1H-pyrrolo[3,2-b]pyridin-2-yl]-2-pyridinyl]-2-(4-fluorophenyl)acetamide?
The IUPAC name of N-[4-[3-(5-chlorothiophen-2-yl)-1H-pyrrolo[3,2-b]pyridin-2-yl]-2-pyridinyl]-2-(4-fluorophenyl)acetamide (CID 162687604) is N-[4-[3-(5-chlorothiophen-2-yl)-1H-pyrrolo[3,2-b]pyridin-2-yl]-2-pyridinyl]-2-(4-fluorophenyl)acetamide.
What is the SMILES notation for N-[4-[3-(5-chlorothiophen-2-yl)-1H-pyrrolo[3,2-b]pyridin-2-yl]-2-pyridinyl]-2-(4-fluorophenyl)acetamide?
The canonical SMILES for N-[4-[3-(5-chlorothiophen-2-yl)-1H-pyrrolo[3,2-b]pyridin-2-yl]-2-pyridinyl]-2-(4-fluorophenyl)acetamide is O=C(Cc1ccc(F)cc1)Nc1cc(-c2[nH]c3cccnc3c2-c2ccc(Cl)s2)ccn1.
What is the InChIKey of N-[4-[3-(5-chlorothiophen-2-yl)-1H-pyrrolo[3,2-b]pyridin-2-yl]-2-pyridinyl]-2-(4-fluorophenyl)acetamide?
The InChIKey is USMHWTKVCMQLRC-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H16ClFN4OS/c25-19-8-7-18(32-19)22-23(29-17-2-1-10-28-24(17)22)15-9-11-27-20(13-15)30-21(31)12-14-3-5-16(26)6-4-14/h1-11,13,29H,12H2,(H,27,30,31).
What are the key properties of N-[4-[3-(5-chlorothiophen-2-yl)-1H-pyrrolo[3,2-b]pyridin-2-yl]-2-pyridinyl]-2-(4-fluorophenyl)acetamide?
N-[4-[3-(5-chlorothiophen-2-yl)-1H-pyrrolo[3,2-b]pyridin-2-yl]-2-pyridinyl]-2-(4-fluorophenyl)acetamide has a molecular weight of 462.94 g/mol, XLogP of 6.33, 5 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[4-[3-(5-chlorothiophen-2-yl)-1H-pyrrolo[3,2-b]pyridin-2-yl]-2-pyridinyl]-2-(4-fluorophenyl)acetamide is sourced from PubChem (CID 162687604), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).