N-[4-(3-anilino-4-oxo-1,5,6,7-tetrahydroindol-2-yl)-2-pyridinyl]-2-[(4-methyl-1,3-thiazol-5-yl)methoxy]acetamide

C26H25N5O3S — CID 118607114

IUPACN-[4-(3-anilino-4-oxo-1,5,6,7-tetrahydroindol-2-yl)-2-pyridinyl]-2-[(4-methyl-1,3-thiazol-5-yl)methoxy]acetamide
SMILESCc1ncsc1COCC(=O)Nc1cc(-c2[nH]c3c(c2Nc2ccccc2)C(=O)CCC3)ccn1
InChIInChI=1S/C26H25N5O3S/c1-16-21(35-15-28-16)13-34-14-23(33)31-22-12-17(10-11-27-22)25-26(29-18-6-3-2-4-7-18)24-19(30-25)8-5-9-20(24)32/h2-4,6-7,10-12,15,29-30H,5,8-9,13-14H2,1H3,(H,27,31,33)
InChIKeyHAOWHMNIYKVDML-UHFFFAOYSA-N
MW487.59 g/mol
LogP5.26
Rot. Bonds8

About N-[4-(3-anilino-4-oxo-1,5,6,7-tetrahydroindol-2-yl)-2-pyridinyl]-2-[(4-methyl-1,3-thiazol-5-yl)methoxy]acetamide

N-[4-(3-anilino-4-oxo-1,5,6,7-tetrahydroindol-2-yl)-2-pyridinyl]-2-[(4-methyl-1,3-thiazol-5-yl)methoxy]acetamide (PubChem CID 118607114) has the molecular formula C26H25N5O3S and a molecular weight of 487.59 g/mol. Its IUPAC name is N-[4-(3-anilino-4-oxo-1,5,6,7-tetrahydroindol-2-yl)-2-pyridinyl]-2-[(4-methyl-1,3-thiazol-5-yl)methoxy]acetamide.

Molecular Properties

Compound NameN-[4-(3-anilino-4-oxo-1,5,6,7-tetrahydroindol-2-yl)-2-pyridinyl]-2-[(4-methyl-1,3-thiazol-5-yl)methoxy]acetamide
PubChem CID118607114
Molecular FormulaC26H25N5O3S
Molecular Weight487.59 g/mol
Exact Mass487.17
IUPAC NameN-[4-(3-anilino-4-oxo-1,5,6,7-tetrahydroindol-2-yl)-2-pyridinyl]-2-[(4-methyl-1,3-thiazol-5-yl)methoxy]acetamide
SMILESCc1ncsc1COCC(=O)Nc1cc(-c2[nH]c3c(c2Nc2ccccc2)C(=O)CCC3)ccn1
InChIInChI=1S/C26H25N5O3S/c1-16-21(35-15-28-16)13-34-14-23(33)31-22-12-17(10-11-27-22)25-26(29-18-6-3-2-4-7-18)24-19(30-25)8-5-9-20(24)32/h2-4,6-7,10-12,15,29-30H,5,8-9,13-14H2,1H3,(H,27,31,33)
InChIKeyHAOWHMNIYKVDML-UHFFFAOYSA-N
XLogP5.26
TPSA109.00 Ų
H-Bond Donors3
H-Bond Acceptors7
Rotatable Bonds8
Heavy Atoms35
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500487.59
LogP ≤ 55.26
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 107

Analyze N-[4-(3-anilino-4-oxo-1,5,6,7-tetrahydroindol-2-yl)-2-pyridinyl]-2-[(4-methyl-1,3-thiazol-5-yl)methoxy]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-anilino-4-oxo-1,5,6,7-tetrahydroindol-2-yl)-2-pyridinyl]-2-[(4-methyl-1,3-thiazol-5-yl)methoxy]acetamide?
The IUPAC name of N-[4-(3-anilino-4-oxo-1,5,6,7-tetrahydroindol-2-yl)-2-pyridinyl]-2-[(4-methyl-1,3-thiazol-5-yl)methoxy]acetamide (CID 118607114) is N-[4-(3-anilino-4-oxo-1,5,6,7-tetrahydroindol-2-yl)-2-pyridinyl]-2-[(4-methyl-1,3-thiazol-5-yl)methoxy]acetamide.
What is the SMILES notation for N-[4-(3-anilino-4-oxo-1,5,6,7-tetrahydroindol-2-yl)-2-pyridinyl]-2-[(4-methyl-1,3-thiazol-5-yl)methoxy]acetamide?
The canonical SMILES for N-[4-(3-anilino-4-oxo-1,5,6,7-tetrahydroindol-2-yl)-2-pyridinyl]-2-[(4-methyl-1,3-thiazol-5-yl)methoxy]acetamide is Cc1ncsc1COCC(=O)Nc1cc(-c2[nH]c3c(c2Nc2ccccc2)C(=O)CCC3)ccn1.
What is the InChIKey of N-[4-(3-anilino-4-oxo-1,5,6,7-tetrahydroindol-2-yl)-2-pyridinyl]-2-[(4-methyl-1,3-thiazol-5-yl)methoxy]acetamide?
The InChIKey is HAOWHMNIYKVDML-UHFFFAOYSA-N. The full InChI is InChI=1S/C26H25N5O3S/c1-16-21(35-15-28-16)13-34-14-23(33)31-22-12-17(10-11-27-22)25-26(29-18-6-3-2-4-7-18)24-19(30-25)8-5-9-20(24)32/h2-4,6-7,10-12,15,29-30H,5,8-9,13-14H2,1H3,(H,27,31,33).
What are the key properties of N-[4-(3-anilino-4-oxo-1,5,6,7-tetrahydroindol-2-yl)-2-pyridinyl]-2-[(4-methyl-1,3-thiazol-5-yl)methoxy]acetamide?
N-[4-(3-anilino-4-oxo-1,5,6,7-tetrahydroindol-2-yl)-2-pyridinyl]-2-[(4-methyl-1,3-thiazol-5-yl)methoxy]acetamide has a molecular weight of 487.59 g/mol, XLogP of 5.26, 8 rotatable bonds, 3 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for N-[4-(3-anilino-4-oxo-1,5,6,7-tetrahydroindol-2-yl)-2-pyridinyl]-2-[(4-methyl-1,3-thiazol-5-yl)methoxy]acetamide is sourced from PubChem (CID 118607114), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).