N-[5-[(1,3-dioxoisoindol-2-yl)methyl]-1,3-thiazol-2-yl]-5-methyl-1-quinolin-2-ylpyrazole-4-carboxamide

C26H18N6O3S — CID 108801953

IUPACN-[5-[(1,3-dioxoisoindol-2-yl)methyl]-1,3-thiazol-2-yl]-5-methyl-1-quinolin-2-ylpyrazole-4-carboxamide
SMILESCc1c(C(=O)Nc2ncc(CN3C(=O)c4ccccc4C3=O)s2)cnn1-c1ccc2ccccc2n1
InChIInChI=1S/C26H18N6O3S/c1-15-20(13-28-32(15)22-11-10-16-6-2-5-9-21(16)29-22)23(33)30-26-27-12-17(36-26)14-31-24(34)18-7-3-4-8-19(18)25(31)35/h2-13H,14H2,1H3,(H,27,30,33)
InChIKeyXWPNHTOAEQVSFM-UHFFFAOYSA-N
MW494.54 g/mol
LogP4.23
Rot. Bonds5

About N-[5-[(1,3-dioxoisoindol-2-yl)methyl]-1,3-thiazol-2-yl]-5-methyl-1-quinolin-2-ylpyrazole-4-carboxamide

N-[5-[(1,3-dioxoisoindol-2-yl)methyl]-1,3-thiazol-2-yl]-5-methyl-1-quinolin-2-ylpyrazole-4-carboxamide (PubChem CID 108801953) has the molecular formula C26H18N6O3S and a molecular weight of 494.54 g/mol. Its IUPAC name is N-[5-[(1,3-dioxoisoindol-2-yl)methyl]-1,3-thiazol-2-yl]-5-methyl-1-quinolin-2-ylpyrazole-4-carboxamide.

Molecular Properties

Compound NameN-[5-[(1,3-dioxoisoindol-2-yl)methyl]-1,3-thiazol-2-yl]-5-methyl-1-quinolin-2-ylpyrazole-4-carboxamide
PubChem CID108801953
Molecular FormulaC26H18N6O3S
Molecular Weight494.54 g/mol
Exact Mass494.12
IUPAC NameN-[5-[(1,3-dioxoisoindol-2-yl)methyl]-1,3-thiazol-2-yl]-5-methyl-1-quinolin-2-ylpyrazole-4-carboxamide
SMILESCc1c(C(=O)Nc2ncc(CN3C(=O)c4ccccc4C3=O)s2)cnn1-c1ccc2ccccc2n1
InChIInChI=1S/C26H18N6O3S/c1-15-20(13-28-32(15)22-11-10-16-6-2-5-9-21(16)29-22)23(33)30-26-27-12-17(36-26)14-31-24(34)18-7-3-4-8-19(18)25(31)35/h2-13H,14H2,1H3,(H,27,30,33)
InChIKeyXWPNHTOAEQVSFM-UHFFFAOYSA-N
XLogP4.23
TPSA110.08 Ų
H-Bond Donors1
H-Bond Acceptors8
Rotatable Bonds5
Heavy Atoms36
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500494.54
LogP ≤ 54.23
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 108

Computed Properties (RDKit)

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

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Related Compounds

N-[5-[(1,3-dioxoisoindol-2-yl)methyl]-1,3,4-thiadiazol-2-yl]-5-methyl-1-quinolin-2-ylpyrazole-4-carboxamide
CID 108810853
N-(4-acetylphenyl)-5-methyl-1-quinolin-2-ylpyrazole-4-carboxamide
CID 108801834
5-methyl-N-(2-oxo-1H-pyrimidin-6-yl)-1-quinolin-2-ylpyrazole-4-carboxamide
CID 108801801
N-(2-aminoethyl)-5-methyl-1-quinolin-2-ylpyrazole-4-carboxamide
CID 108788938
N-(2-hydroxypropyl)-5-methyl-1-quinolin-2-ylpyrazole-4-carboxamide
CID 108789019
N-(3-carbamoyl-4,5-dimethylthiophen-2-yl)-5-methyl-1-quinolin-2-ylpyrazole-4-carboxamide
CID 108801856
N-(4-carbamoylphenyl)-5-methyl-1-quinolin-2-ylpyrazole-4-carboxamide
CID 108789021
5-methyl-N-(2-methyl-6-oxo-1H-pyrimidin-4-yl)-1-quinolin-2-ylpyrazole-4-carboxamide
CID 136834812
5-methyl-N-[4-(2-methyl-1,3-thiazol-4-yl)phenyl]-1-quinolin-2-ylpyrazole-4-carboxamide
CID 108810824
ethyl 5-[(5-methyl-1-pyridin-2-ylpyrazole-4-carbonyl)amino]-1-quinolin-2-ylpyrazole-4-carboxylate
CID 108746974
N-(3-chlorophenyl)-5-methyl-1-quinolin-2-ylpyrazole-4-carboxamide
CID 108801833
N-(3-chloro-4-methylphenyl)-5-methyl-1-quinolin-2-ylpyrazole-4-carboxamide
CID 108788844

Frequently Asked Questions

What is the IUPAC name of N-[5-[(1,3-dioxoisoindol-2-yl)methyl]-1,3-thiazol-2-yl]-5-methyl-1-quinolin-2-ylpyrazole-4-carboxamide?
The IUPAC name of N-[5-[(1,3-dioxoisoindol-2-yl)methyl]-1,3-thiazol-2-yl]-5-methyl-1-quinolin-2-ylpyrazole-4-carboxamide (CID 108801953) is N-[5-[(1,3-dioxoisoindol-2-yl)methyl]-1,3-thiazol-2-yl]-5-methyl-1-quinolin-2-ylpyrazole-4-carboxamide.
What is the SMILES notation for N-[5-[(1,3-dioxoisoindol-2-yl)methyl]-1,3-thiazol-2-yl]-5-methyl-1-quinolin-2-ylpyrazole-4-carboxamide?
The canonical SMILES for N-[5-[(1,3-dioxoisoindol-2-yl)methyl]-1,3-thiazol-2-yl]-5-methyl-1-quinolin-2-ylpyrazole-4-carboxamide is Cc1c(C(=O)Nc2ncc(CN3C(=O)c4ccccc4C3=O)s2)cnn1-c1ccc2ccccc2n1.
What is the InChIKey of N-[5-[(1,3-dioxoisoindol-2-yl)methyl]-1,3-thiazol-2-yl]-5-methyl-1-quinolin-2-ylpyrazole-4-carboxamide?
The InChIKey is XWPNHTOAEQVSFM-UHFFFAOYSA-N. The full InChI is InChI=1S/C26H18N6O3S/c1-15-20(13-28-32(15)22-11-10-16-6-2-5-9-21(16)29-22)23(33)30-26-27-12-17(36-26)14-31-24(34)18-7-3-4-8-19(18)25(31)35/h2-13H,14H2,1H3,(H,27,30,33).
What are the key properties of N-[5-[(1,3-dioxoisoindol-2-yl)methyl]-1,3-thiazol-2-yl]-5-methyl-1-quinolin-2-ylpyrazole-4-carboxamide?
N-[5-[(1,3-dioxoisoindol-2-yl)methyl]-1,3-thiazol-2-yl]-5-methyl-1-quinolin-2-ylpyrazole-4-carboxamide has a molecular weight of 494.54 g/mol, XLogP of 4.23, 5 rotatable bonds, 1 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for N-[5-[(1,3-dioxoisoindol-2-yl)methyl]-1,3-thiazol-2-yl]-5-methyl-1-quinolin-2-ylpyrazole-4-carboxamide is sourced from PubChem (CID 108801953), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).