N-[4-[1-cyclopropylsulfonyl-7-[(1,3-dioxoisoindol-2-yl)methyl]pyrrolo[2,3-c]pyridin-4-yl]-2-pyridinyl]acetamide

C26H21N5O5S — CID 118240718

IUPACN-[4-[1-cyclopropylsulfonyl-7-[(1,3-dioxoisoindol-2-yl)methyl]pyrrolo[2,3-c]pyridin-4-yl]-2-pyridinyl]acetamide
SMILESCC(=O)Nc1cc(-c2cnc(CN3C(=O)c4ccccc4C3=O)c3c2ccn3S(=O)(=O)C2CC2)ccn1
InChIInChI=1S/C26H21N5O5S/c1-15(32)29-23-12-16(8-10-27-23)21-13-28-22(14-30-25(33)19-4-2-3-5-20(19)26(30)34)24-18(21)9-11-31(24)37(35,36)17-6-7-17/h2-5,8-13,17H,6-7,14H2,1H3,(H,27,29,32)
InChIKeyANXWQCJABNXKNT-UHFFFAOYSA-N
MW515.55 g/mol
LogP3.19
Rot. Bonds6

About N-[4-[1-cyclopropylsulfonyl-7-[(1,3-dioxoisoindol-2-yl)methyl]pyrrolo[2,3-c]pyridin-4-yl]-2-pyridinyl]acetamide

N-[4-[1-cyclopropylsulfonyl-7-[(1,3-dioxoisoindol-2-yl)methyl]pyrrolo[2,3-c]pyridin-4-yl]-2-pyridinyl]acetamide (PubChem CID 118240718) has the molecular formula C26H21N5O5S and a molecular weight of 515.55 g/mol. Its IUPAC name is N-[4-[1-cyclopropylsulfonyl-7-[(1,3-dioxoisoindol-2-yl)methyl]pyrrolo[2,3-c]pyridin-4-yl]-2-pyridinyl]acetamide.

Molecular Properties

Compound NameN-[4-[1-cyclopropylsulfonyl-7-[(1,3-dioxoisoindol-2-yl)methyl]pyrrolo[2,3-c]pyridin-4-yl]-2-pyridinyl]acetamide
PubChem CID118240718
Molecular FormulaC26H21N5O5S
Molecular Weight515.55 g/mol
Exact Mass515.13
IUPAC NameN-[4-[1-cyclopropylsulfonyl-7-[(1,3-dioxoisoindol-2-yl)methyl]pyrrolo[2,3-c]pyridin-4-yl]-2-pyridinyl]acetamide
SMILESCC(=O)Nc1cc(-c2cnc(CN3C(=O)c4ccccc4C3=O)c3c2ccn3S(=O)(=O)C2CC2)ccn1
InChIInChI=1S/C26H21N5O5S/c1-15(32)29-23-12-16(8-10-27-23)21-13-28-22(14-30-25(33)19-4-2-3-5-20(19)26(30)34)24-18(21)9-11-31(24)37(35,36)17-6-7-17/h2-5,8-13,17H,6-7,14H2,1H3,(H,27,29,32)
InChIKeyANXWQCJABNXKNT-UHFFFAOYSA-N
XLogP3.19
TPSA131.33 Ų
H-Bond Donors1
H-Bond Acceptors8
Rotatable Bonds6
Heavy Atoms37
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500515.55
LogP ≤ 53.19
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 108

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'phthalimide', 'substructure': 'N/A'}

Analyze N-[4-[1-cyclopropylsulfonyl-7-[(1,3-dioxoisoindol-2-yl)methyl]pyrrolo[2,3-c]pyridin-4-yl]-2-pyridinyl]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-[1-cyclopropylsulfonyl-7-[(1,3-dioxoisoindol-2-yl)methyl]pyrrolo[2,3-c]pyridin-4-yl]-2-pyridinyl]acetamide?
The IUPAC name of N-[4-[1-cyclopropylsulfonyl-7-[(1,3-dioxoisoindol-2-yl)methyl]pyrrolo[2,3-c]pyridin-4-yl]-2-pyridinyl]acetamide (CID 118240718) is N-[4-[1-cyclopropylsulfonyl-7-[(1,3-dioxoisoindol-2-yl)methyl]pyrrolo[2,3-c]pyridin-4-yl]-2-pyridinyl]acetamide.
What is the SMILES notation for N-[4-[1-cyclopropylsulfonyl-7-[(1,3-dioxoisoindol-2-yl)methyl]pyrrolo[2,3-c]pyridin-4-yl]-2-pyridinyl]acetamide?
The canonical SMILES for N-[4-[1-cyclopropylsulfonyl-7-[(1,3-dioxoisoindol-2-yl)methyl]pyrrolo[2,3-c]pyridin-4-yl]-2-pyridinyl]acetamide is CC(=O)Nc1cc(-c2cnc(CN3C(=O)c4ccccc4C3=O)c3c2ccn3S(=O)(=O)C2CC2)ccn1.
What is the InChIKey of N-[4-[1-cyclopropylsulfonyl-7-[(1,3-dioxoisoindol-2-yl)methyl]pyrrolo[2,3-c]pyridin-4-yl]-2-pyridinyl]acetamide?
The InChIKey is ANXWQCJABNXKNT-UHFFFAOYSA-N. The full InChI is InChI=1S/C26H21N5O5S/c1-15(32)29-23-12-16(8-10-27-23)21-13-28-22(14-30-25(33)19-4-2-3-5-20(19)26(30)34)24-18(21)9-11-31(24)37(35,36)17-6-7-17/h2-5,8-13,17H,6-7,14H2,1H3,(H,27,29,32).
What are the key properties of N-[4-[1-cyclopropylsulfonyl-7-[(1,3-dioxoisoindol-2-yl)methyl]pyrrolo[2,3-c]pyridin-4-yl]-2-pyridinyl]acetamide?
N-[4-[1-cyclopropylsulfonyl-7-[(1,3-dioxoisoindol-2-yl)methyl]pyrrolo[2,3-c]pyridin-4-yl]-2-pyridinyl]acetamide has a molecular weight of 515.55 g/mol, XLogP of 3.19, 6 rotatable bonds, 1 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for N-[4-[1-cyclopropylsulfonyl-7-[(1,3-dioxoisoindol-2-yl)methyl]pyrrolo[2,3-c]pyridin-4-yl]-2-pyridinyl]acetamide is sourced from PubChem (CID 118240718), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).