1-ethyl-3,5-dimethyl-N-[4-[2-oxo-1-(pyridin-3-ylmethyl)-3,4-dihydroquinolin-6-yl]-1,3-thiazol-2-yl]pyrazole-4-carboxamide

C26H26N6O2S — CID 135221817

IUPAC1-ethyl-3,5-dimethyl-N-[4-[2-oxo-1-(pyridin-3-ylmethyl)-3,4-dihydroquinolin-6-yl]-1,3-thiazol-2-yl]pyrazole-4-carboxamide
SMILESCCn1nc(C)c(C(=O)Nc2nc(-c3ccc4c(c3)CCC(=O)N4Cc3cccnc3)cs2)c1C
InChIInChI=1S/C26H26N6O2S/c1-4-32-17(3)24(16(2)30-32)25(34)29-26-28-21(15-35-26)19-7-9-22-20(12-19)8-10-23(33)31(22)14-18-6-5-11-27-13-18/h5-7,9,11-13,15H,4,8,10,14H2,1-3H3,(H,28,29,34)
InChIKeyCWKRNDMTXDTPSN-UHFFFAOYSA-N
MW486.60 g/mol
LogP4.77
Rot. Bonds6

About 1-ethyl-3,5-dimethyl-N-[4-[2-oxo-1-(pyridin-3-ylmethyl)-3,4-dihydroquinolin-6-yl]-1,3-thiazol-2-yl]pyrazole-4-carboxamide

1-ethyl-3,5-dimethyl-N-[4-[2-oxo-1-(pyridin-3-ylmethyl)-3,4-dihydroquinolin-6-yl]-1,3-thiazol-2-yl]pyrazole-4-carboxamide (PubChem CID 135221817) has the molecular formula C26H26N6O2S and a molecular weight of 486.60 g/mol. Its IUPAC name is 1-ethyl-3,5-dimethyl-N-[4-[2-oxo-1-(pyridin-3-ylmethyl)-3,4-dihydroquinolin-6-yl]-1,3-thiazol-2-yl]pyrazole-4-carboxamide.

Molecular Properties

Compound Name1-ethyl-3,5-dimethyl-N-[4-[2-oxo-1-(pyridin-3-ylmethyl)-3,4-dihydroquinolin-6-yl]-1,3-thiazol-2-yl]pyrazole-4-carboxamide
PubChem CID135221817
Molecular FormulaC26H26N6O2S
Molecular Weight486.60 g/mol
Exact Mass486.18
IUPAC Name1-ethyl-3,5-dimethyl-N-[4-[2-oxo-1-(pyridin-3-ylmethyl)-3,4-dihydroquinolin-6-yl]-1,3-thiazol-2-yl]pyrazole-4-carboxamide
SMILESCCn1nc(C)c(C(=O)Nc2nc(-c3ccc4c(c3)CCC(=O)N4Cc3cccnc3)cs2)c1C
InChIInChI=1S/C26H26N6O2S/c1-4-32-17(3)24(16(2)30-32)25(34)29-26-28-21(15-35-26)19-7-9-22-20(12-19)8-10-23(33)31(22)14-18-6-5-11-27-13-18/h5-7,9,11-13,15H,4,8,10,14H2,1-3H3,(H,28,29,34)
InChIKeyCWKRNDMTXDTPSN-UHFFFAOYSA-N
XLogP4.77
TPSA93.01 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds6
Heavy Atoms35
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500486.60
LogP ≤ 54.77
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

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Related Compounds

2-cyclohexyl-4-methyl-N-[4-[2-oxo-1-(pyridin-3-ylmethyl)-3,4-dihydroquinolin-6-yl]-1,3-thiazol-2-yl]-1,3-oxazole-5-carboxamide
CID 135232535
2-ethyl-4-methyl-N-[4-[2-oxo-1-(pyridazin-3-ylmethyl)-3,4-dihydroquinolin-6-yl]-1,3-thiazol-2-yl]-1,3-oxazole-5-carboxamide
CID 135221871
N-[4-[1-[3-(dimethylamino)-3-oxopropyl]-2-oxo-3,4-dihydroquinolin-6-yl]-1,3-thiazol-2-yl]-2,4-dimethyl-1,3-oxazole-5-carboxamide
CID 135221781
methyl 4-[2-[(1-benzyl-3,5-dimethylpyrazole-4-carbonyl)amino]-1,3-thiazol-4-yl]-1H-pyrrole-2-carboxylate
CID 86921263
N-[4-(3,4-dimethylphenyl)-1,3-thiazol-2-yl]-1-(pyridin-3-ylmethyl)triazole-4-carboxamide
CID 75467949
N-[4-(1-propanoyl-2,3-dihydroindol-5-yl)-1,3-thiazol-2-yl]furan-2-carboxamide
CID 24761960
N-[4-[1-(benzenesulfonyl)-2,3-dihydroindol-5-yl]-1,3-thiazol-2-yl]pyridine-3-carboxamide
CID 1450373
N-[4-(1-acetyl-3,4-dihydro-2H-quinolin-6-yl)-1,3-thiazol-2-yl]-2,4-dimethyl-1,3-thiazole-5-carboxamide
CID 122589319
3,5-dimethyl-N-(4-pyridin-3-yl-1,3-thiazol-2-yl)-1,2-oxazole-4-carboxamide
CID 8892667
4-(diethylaminomethyl)-N-(4-pyridin-3-yl-1,3-thiazol-2-yl)benzamide
CID 43070031
5-chloro-N-[4-(3,4-dimethoxyphenyl)-1,3-thiazol-2-yl]-3-methyl-1-[(4-methylphenyl)methyl]pyrazole-4-carboxamide
CID 30245071
N-[4-(4-methyl-3-oxo-1,4-benzoxazin-6-yl)-1,3-thiazol-2-yl]pyridine-3-carboxamide
CID 22694414

Frequently Asked Questions

What is the IUPAC name of 1-ethyl-3,5-dimethyl-N-[4-[2-oxo-1-(pyridin-3-ylmethyl)-3,4-dihydroquinolin-6-yl]-1,3-thiazol-2-yl]pyrazole-4-carboxamide?
The IUPAC name of 1-ethyl-3,5-dimethyl-N-[4-[2-oxo-1-(pyridin-3-ylmethyl)-3,4-dihydroquinolin-6-yl]-1,3-thiazol-2-yl]pyrazole-4-carboxamide (CID 135221817) is 1-ethyl-3,5-dimethyl-N-[4-[2-oxo-1-(pyridin-3-ylmethyl)-3,4-dihydroquinolin-6-yl]-1,3-thiazol-2-yl]pyrazole-4-carboxamide.
What is the SMILES notation for 1-ethyl-3,5-dimethyl-N-[4-[2-oxo-1-(pyridin-3-ylmethyl)-3,4-dihydroquinolin-6-yl]-1,3-thiazol-2-yl]pyrazole-4-carboxamide?
The canonical SMILES for 1-ethyl-3,5-dimethyl-N-[4-[2-oxo-1-(pyridin-3-ylmethyl)-3,4-dihydroquinolin-6-yl]-1,3-thiazol-2-yl]pyrazole-4-carboxamide is CCn1nc(C)c(C(=O)Nc2nc(-c3ccc4c(c3)CCC(=O)N4Cc3cccnc3)cs2)c1C.
What is the InChIKey of 1-ethyl-3,5-dimethyl-N-[4-[2-oxo-1-(pyridin-3-ylmethyl)-3,4-dihydroquinolin-6-yl]-1,3-thiazol-2-yl]pyrazole-4-carboxamide?
The InChIKey is CWKRNDMTXDTPSN-UHFFFAOYSA-N. The full InChI is InChI=1S/C26H26N6O2S/c1-4-32-17(3)24(16(2)30-32)25(34)29-26-28-21(15-35-26)19-7-9-22-20(12-19)8-10-23(33)31(22)14-18-6-5-11-27-13-18/h5-7,9,11-13,15H,4,8,10,14H2,1-3H3,(H,28,29,34).
What are the key properties of 1-ethyl-3,5-dimethyl-N-[4-[2-oxo-1-(pyridin-3-ylmethyl)-3,4-dihydroquinolin-6-yl]-1,3-thiazol-2-yl]pyrazole-4-carboxamide?
1-ethyl-3,5-dimethyl-N-[4-[2-oxo-1-(pyridin-3-ylmethyl)-3,4-dihydroquinolin-6-yl]-1,3-thiazol-2-yl]pyrazole-4-carboxamide has a molecular weight of 486.60 g/mol, XLogP of 4.77, 6 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 1-ethyl-3,5-dimethyl-N-[4-[2-oxo-1-(pyridin-3-ylmethyl)-3,4-dihydroquinolin-6-yl]-1,3-thiazol-2-yl]pyrazole-4-carboxamide is sourced from PubChem (CID 135221817), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).