N-[4-(3-anilino-6,6-dimethyl-4-oxo-5,7-dihydro-1H-indol-2-yl)-2-pyridinyl]-1,3-thiazole-4-carboxamide

C25H23N5O2S — CID 118613220

IUPACN-[4-(3-anilino-6,6-dimethyl-4-oxo-5,7-dihydro-1H-indol-2-yl)-2-pyridinyl]-1,3-thiazole-4-carboxamide
SMILESCC1(C)CC(=O)c2c([nH]c(-c3ccnc(NC(=O)c4cscn4)c3)c2Nc2ccccc2)C1
InChIInChI=1S/C25H23N5O2S/c1-25(2)11-17-21(19(31)12-25)23(28-16-6-4-3-5-7-16)22(29-17)15-8-9-26-20(10-15)30-24(32)18-13-33-14-27-18/h3-10,13-14,28-29H,11-12H2,1-2H3,(H,26,30,32)
InChIKeyKZDXHUBHTCNNGT-UHFFFAOYSA-N
MW457.56 g/mol
LogP5.68
Rot. Bonds5

About N-[4-(3-anilino-6,6-dimethyl-4-oxo-5,7-dihydro-1H-indol-2-yl)-2-pyridinyl]-1,3-thiazole-4-carboxamide

N-[4-(3-anilino-6,6-dimethyl-4-oxo-5,7-dihydro-1H-indol-2-yl)-2-pyridinyl]-1,3-thiazole-4-carboxamide (PubChem CID 118613220) has the molecular formula C25H23N5O2S and a molecular weight of 457.56 g/mol. Its IUPAC name is N-[4-(3-anilino-6,6-dimethyl-4-oxo-5,7-dihydro-1H-indol-2-yl)-2-pyridinyl]-1,3-thiazole-4-carboxamide.

Molecular Properties

Compound NameN-[4-(3-anilino-6,6-dimethyl-4-oxo-5,7-dihydro-1H-indol-2-yl)-2-pyridinyl]-1,3-thiazole-4-carboxamide
PubChem CID118613220
Molecular FormulaC25H23N5O2S
Molecular Weight457.56 g/mol
Exact Mass457.16
IUPAC NameN-[4-(3-anilino-6,6-dimethyl-4-oxo-5,7-dihydro-1H-indol-2-yl)-2-pyridinyl]-1,3-thiazole-4-carboxamide
SMILESCC1(C)CC(=O)c2c([nH]c(-c3ccnc(NC(=O)c4cscn4)c3)c2Nc2ccccc2)C1
InChIInChI=1S/C25H23N5O2S/c1-25(2)11-17-21(19(31)12-25)23(28-16-6-4-3-5-7-16)22(29-17)15-8-9-26-20(10-15)30-24(32)18-13-33-14-27-18/h3-10,13-14,28-29H,11-12H2,1-2H3,(H,26,30,32)
InChIKeyKZDXHUBHTCNNGT-UHFFFAOYSA-N
XLogP5.68
TPSA99.77 Ų
H-Bond Donors3
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms33
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500457.56
LogP ≤ 55.68
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 106

Analyze N-[4-(3-anilino-6,6-dimethyl-4-oxo-5,7-dihydro-1H-indol-2-yl)-2-pyridinyl]-1,3-thiazole-4-carboxamide with MolForge

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Related Compounds

2-[(4-Methyl-1-oxo-2,3,4,9-tetrahydropyrido[3,4-b]indole-6-carbonyl)amino]-1,3-thiazole-5-carboxamide
CID 44143528
N-[3-(dimethylamino)propyl]-2-[(4-methyl-1-oxo-2,3,4,9-tetrahydropyrido[3,4-b]indole-6-carbonyl)amino]-1,3-thiazole-5-carboxamide
CID 44143541
3-[2-(4-benzoylpiperazin-1-yl)-2-oxo-acetyl]-4-fluoro-N-thiazol-2-yl-1H-indole-7-carboxamide
CID 507919
3-[2-[(2R)-4-benzoyl-2-methyl-piperazin-1-yl]-2-oxo-acetyl]-N-thiazol-2-yl-1H-pyrrolo[3,2-b]pyridine-7-carboxamide
CID 5280251
Indole-based 6-membered lactam, 4f
CID 44143552
N-[2-(dimethylamino)ethyl]-2-[(4-methyl-1-oxo-2,3,4,9-tetrahydropyrido[3,4-b]indole-6-carbonyl)amino]-1,3-thiazole-5-carboxamide
CID 44143540
1-(4-benzoylpiperazin-1-yl)-2-[7-(4-methylthiazol-2-yl)-1H-pyrrolo[3,2-b]pyridin-3-yl]ethane-1,2-dione
CID 71517533
1-[(3R)-4-benzoyl-3-methyl-piperazin-1-yl]-2-[7-(4-methylthiazol-2-yl)-1H-pyrrolo[3,2-b]pyridin-3-yl]ethane-1,2-dione
CID 71517876
3-[2-(4-benzoylpiperazin-1-yl)-2-oxo-acetyl]-4-fluoro-N-(4-methylthiazol-2-yl)-1H-indole-7-carboxamide
CID 71597197
3-[2-(4-benzoylpiperazin-1-yl)-2-oxo-acetyl]-4-fluoro-N-(4-phenylthiazol-2-yl)-1H-indole-7-carboxamide
CID 71597713
5-methyl-N-(4-methyl-1,3-thiazol-2-yl)-1H-pyrrolo[2,3-c]pyridine-7-carboxamide
CID 71454886
3-[2-[(2R)-4-benzoyl-2-methyl-piperazin-1-yl]-2-oxo-acetyl]-N-(4-methylthiazol-2-yl)-1H-pyrrolo[3,2-b]pyridine-7-carboxamide
CID 5280250

Frequently Asked Questions

What is the IUPAC name of N-[4-(3-anilino-6,6-dimethyl-4-oxo-5,7-dihydro-1H-indol-2-yl)-2-pyridinyl]-1,3-thiazole-4-carboxamide?
The IUPAC name of N-[4-(3-anilino-6,6-dimethyl-4-oxo-5,7-dihydro-1H-indol-2-yl)-2-pyridinyl]-1,3-thiazole-4-carboxamide (CID 118613220) is N-[4-(3-anilino-6,6-dimethyl-4-oxo-5,7-dihydro-1H-indol-2-yl)-2-pyridinyl]-1,3-thiazole-4-carboxamide.
What is the SMILES notation for N-[4-(3-anilino-6,6-dimethyl-4-oxo-5,7-dihydro-1H-indol-2-yl)-2-pyridinyl]-1,3-thiazole-4-carboxamide?
The canonical SMILES for N-[4-(3-anilino-6,6-dimethyl-4-oxo-5,7-dihydro-1H-indol-2-yl)-2-pyridinyl]-1,3-thiazole-4-carboxamide is CC1(C)CC(=O)c2c([nH]c(-c3ccnc(NC(=O)c4cscn4)c3)c2Nc2ccccc2)C1.
What is the InChIKey of N-[4-(3-anilino-6,6-dimethyl-4-oxo-5,7-dihydro-1H-indol-2-yl)-2-pyridinyl]-1,3-thiazole-4-carboxamide?
The InChIKey is KZDXHUBHTCNNGT-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H23N5O2S/c1-25(2)11-17-21(19(31)12-25)23(28-16-6-4-3-5-7-16)22(29-17)15-8-9-26-20(10-15)30-24(32)18-13-33-14-27-18/h3-10,13-14,28-29H,11-12H2,1-2H3,(H,26,30,32).
What are the key properties of N-[4-(3-anilino-6,6-dimethyl-4-oxo-5,7-dihydro-1H-indol-2-yl)-2-pyridinyl]-1,3-thiazole-4-carboxamide?
N-[4-(3-anilino-6,6-dimethyl-4-oxo-5,7-dihydro-1H-indol-2-yl)-2-pyridinyl]-1,3-thiazole-4-carboxamide has a molecular weight of 457.56 g/mol, XLogP of 5.68, 5 rotatable bonds, 3 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-[4-(3-anilino-6,6-dimethyl-4-oxo-5,7-dihydro-1H-indol-2-yl)-2-pyridinyl]-1,3-thiazole-4-carboxamide is sourced from PubChem (CID 118613220), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).