N-[2-oxo-2-[[4-(3-pyridin-4-ylphenyl)-1,3-thiazol-2-yl]amino]ethyl]-1H-indazole-5-carboxamide

C24H18N6O2S — CID 153333092

IUPACN-[2-oxo-2-[[4-(3-pyridin-4-ylphenyl)-1,3-thiazol-2-yl]amino]ethyl]-1H-indazole-5-carboxamide
SMILESO=C(CNC(=O)c1ccc2[nH]ncc2c1)Nc1nc(-c2cccc(-c3ccncc3)c2)cs1
InChIInChI=1S/C24H18N6O2S/c31-22(13-26-23(32)18-4-5-20-19(11-18)12-27-30-20)29-24-28-21(14-33-24)17-3-1-2-16(10-17)15-6-8-25-9-7-15/h1-12,14H,13H2,(H,26,32)(H,27,30)(H,28,29,31)
InChIKeyDIXXEBITFYEJRW-UHFFFAOYSA-N
MW454.52 g/mol
LogP4.12
Rot. Bonds6

About N-[2-oxo-2-[[4-(3-pyridin-4-ylphenyl)-1,3-thiazol-2-yl]amino]ethyl]-1H-indazole-5-carboxamide

N-[2-oxo-2-[[4-(3-pyridin-4-ylphenyl)-1,3-thiazol-2-yl]amino]ethyl]-1H-indazole-5-carboxamide (PubChem CID 153333092) has the molecular formula C24H18N6O2S and a molecular weight of 454.52 g/mol. Its IUPAC name is N-[2-oxo-2-[[4-(3-pyridin-4-ylphenyl)-1,3-thiazol-2-yl]amino]ethyl]-1H-indazole-5-carboxamide.

Molecular Properties

Compound NameN-[2-oxo-2-[[4-(3-pyridin-4-ylphenyl)-1,3-thiazol-2-yl]amino]ethyl]-1H-indazole-5-carboxamide
PubChem CID153333092
Molecular FormulaC24H18N6O2S
Molecular Weight454.52 g/mol
Exact Mass454.12
IUPAC NameN-[2-oxo-2-[[4-(3-pyridin-4-ylphenyl)-1,3-thiazol-2-yl]amino]ethyl]-1H-indazole-5-carboxamide
SMILESO=C(CNC(=O)c1ccc2[nH]ncc2c1)Nc1nc(-c2cccc(-c3ccncc3)c2)cs1
InChIInChI=1S/C24H18N6O2S/c31-22(13-26-23(32)18-4-5-20-19(11-18)12-27-30-20)29-24-28-21(14-33-24)17-3-1-2-16(10-17)15-6-8-25-9-7-15/h1-12,14H,13H2,(H,26,32)(H,27,30)(H,28,29,31)
InChIKeyDIXXEBITFYEJRW-UHFFFAOYSA-N
XLogP4.12
TPSA112.66 Ų
H-Bond Donors3
H-Bond Acceptors6
Rotatable Bonds6
Heavy Atoms33
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500454.52
LogP ≤ 54.12
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 106

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Related Compounds

N-[2-oxo-3-[4-(3-pyridin-4-ylphenyl)-1,3-thiazol-2-yl]propyl]-1H-indazole-5-carboxamide
CID 159882181
N-[2-oxo-2-[[4-(3-pyridin-4-ylphenyl)-1,3-thiazol-2-yl]amino]ethyl]-3-trimethylsilylbenzamide
CID 166521641
N-[2-oxo-2-[[4-(3-pyridin-4-ylphenyl)-1,3-thiazol-2-yl]amino]ethyl]-1H-imidazole-5-carboxamide
CID 154669466
N-[2-oxo-2-[[4-(3-pyridin-4-ylphenyl)-1,3-thiazol-2-yl]amino]ethyl]-5,6,7,8-tetrahydro-1,8-naphthyridine-3-carboxamide
CID 139386797
N-[2-oxo-2-[[4-(3-pyridin-4-ylphenyl)-1,3-thiazol-2-yl]amino]ethyl]-3-propan-2-ylsulfonylbenzamide
CID 166172356
1-(2-aminoethyl)-N-[2-oxo-2-[[4-(3-pyridin-4-ylphenyl)-1,3-thiazol-2-yl]amino]ethyl]pyrrole-3-carboxamide
CID 154669257
4-fluoro-N-[2-[[4-(3-fluorophenyl)-1,3-thiazol-2-yl]amino]-2-oxoethyl]benzamide
CID 36539746
tert-butyl N-[2-[3-[[2-oxo-2-[[4-(3-pyridin-4-ylphenyl)-1,3-thiazol-2-yl]amino]ethyl]carbamoyl]phenyl]propan-2-yl]carbamate
CID 166172235
(Z,2E)-2-ethylidene-N-[2-oxo-2-[[4-(3-pyridin-4-ylphenyl)-1,3-thiazol-2-yl]amino]ethyl]pent-3-enamide
CID 154668432
3-methyl-N-[2-oxo-2-[(4-phenyl-1,3-thiazol-2-yl)amino]ethyl]benzamide
CID 18267450
(Z,2E)-2-ethylidene-5-methyl-N-[2-oxo-2-[[4-(3-pyridin-4-ylphenyl)-1,3-thiazol-2-yl]amino]ethyl]hex-3-enamide
CID 154668114
N-[2-[[4-[3-(2,6-dimethyl-4-pyridinyl)phenyl]-1,3-thiazol-2-yl]amino]-2-oxoethyl]-1-methylpyrrole-3-carboxamide
CID 155037029

Frequently Asked Questions

What is the IUPAC name of N-[2-oxo-2-[[4-(3-pyridin-4-ylphenyl)-1,3-thiazol-2-yl]amino]ethyl]-1H-indazole-5-carboxamide?
The IUPAC name of N-[2-oxo-2-[[4-(3-pyridin-4-ylphenyl)-1,3-thiazol-2-yl]amino]ethyl]-1H-indazole-5-carboxamide (CID 153333092) is N-[2-oxo-2-[[4-(3-pyridin-4-ylphenyl)-1,3-thiazol-2-yl]amino]ethyl]-1H-indazole-5-carboxamide.
What is the SMILES notation for N-[2-oxo-2-[[4-(3-pyridin-4-ylphenyl)-1,3-thiazol-2-yl]amino]ethyl]-1H-indazole-5-carboxamide?
The canonical SMILES for N-[2-oxo-2-[[4-(3-pyridin-4-ylphenyl)-1,3-thiazol-2-yl]amino]ethyl]-1H-indazole-5-carboxamide is O=C(CNC(=O)c1ccc2[nH]ncc2c1)Nc1nc(-c2cccc(-c3ccncc3)c2)cs1.
What is the InChIKey of N-[2-oxo-2-[[4-(3-pyridin-4-ylphenyl)-1,3-thiazol-2-yl]amino]ethyl]-1H-indazole-5-carboxamide?
The InChIKey is DIXXEBITFYEJRW-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H18N6O2S/c31-22(13-26-23(32)18-4-5-20-19(11-18)12-27-30-20)29-24-28-21(14-33-24)17-3-1-2-16(10-17)15-6-8-25-9-7-15/h1-12,14H,13H2,(H,26,32)(H,27,30)(H,28,29,31).
What are the key properties of N-[2-oxo-2-[[4-(3-pyridin-4-ylphenyl)-1,3-thiazol-2-yl]amino]ethyl]-1H-indazole-5-carboxamide?
N-[2-oxo-2-[[4-(3-pyridin-4-ylphenyl)-1,3-thiazol-2-yl]amino]ethyl]-1H-indazole-5-carboxamide has a molecular weight of 454.52 g/mol, XLogP of 4.12, 6 rotatable bonds, 3 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-oxo-2-[[4-(3-pyridin-4-ylphenyl)-1,3-thiazol-2-yl]amino]ethyl]-1H-indazole-5-carboxamide is sourced from PubChem (CID 153333092), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).