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

C25H19N5O2S — CID 159882181

IUPACN-[2-oxo-3-[4-(3-pyridin-4-ylphenyl)-1,3-thiazol-2-yl]propyl]-1H-indazole-5-carboxamide
SMILESO=C(CNC(=O)c1ccc2[nH]ncc2c1)Cc1nc(-c2cccc(-c3ccncc3)c2)cs1
InChIInChI=1S/C25H19N5O2S/c31-21(14-27-25(32)19-4-5-22-20(11-19)13-28-30-22)12-24-29-23(15-33-24)18-3-1-2-17(10-18)16-6-8-26-9-7-16/h1-11,13,15H,12,14H2,(H,27,32)(H,28,30)
InChIKeyNTQWFORMQKKBTR-UHFFFAOYSA-N
MW453.53 g/mol
LogP4.29
Rot. Bonds7

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

N-[2-oxo-3-[4-(3-pyridin-4-ylphenyl)-1,3-thiazol-2-yl]propyl]-1H-indazole-5-carboxamide (PubChem CID 159882181) has the molecular formula C25H19N5O2S and a molecular weight of 453.53 g/mol. Its IUPAC name is N-[2-oxo-3-[4-(3-pyridin-4-ylphenyl)-1,3-thiazol-2-yl]propyl]-1H-indazole-5-carboxamide.

Molecular Properties

Compound NameN-[2-oxo-3-[4-(3-pyridin-4-ylphenyl)-1,3-thiazol-2-yl]propyl]-1H-indazole-5-carboxamide
PubChem CID159882181
Molecular FormulaC25H19N5O2S
Molecular Weight453.53 g/mol
Exact Mass453.13
IUPAC NameN-[2-oxo-3-[4-(3-pyridin-4-ylphenyl)-1,3-thiazol-2-yl]propyl]-1H-indazole-5-carboxamide
SMILESO=C(CNC(=O)c1ccc2[nH]ncc2c1)Cc1nc(-c2cccc(-c3ccncc3)c2)cs1
InChIInChI=1S/C25H19N5O2S/c31-21(14-27-25(32)19-4-5-22-20(11-19)13-28-30-22)12-24-29-23(15-33-24)18-3-1-2-17(10-18)16-6-8-26-9-7-16/h1-11,13,15H,12,14H2,(H,27,32)(H,28,30)
InChIKeyNTQWFORMQKKBTR-UHFFFAOYSA-N
XLogP4.29
TPSA100.63 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds7
Heavy Atoms33
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500453.53
LogP ≤ 54.29
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

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Related Compounds

N-[2-oxo-2-[[4-(3-pyridin-4-ylphenyl)-1,3-thiazol-2-yl]amino]ethyl]-1H-indazole-5-carboxamide
CID 153333092
3-methylsulfonyl-N-[2-oxo-3-[4-(3-phenylphenyl)-1,3-thiazol-2-yl]propyl]benzamide
CID 159737343
3-methylsulfonyl-N-[2-oxo-3-[4-[3-(1,3-thiazol-2-yl)phenyl]-1,3-thiazol-2-yl]propyl]benzamide
CID 160842834
N-(2-amino-2-oxoethyl)-1H-indazole-5-carboxamide
CID 63929072
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]-3-propan-2-ylsulfonylbenzamide
CID 166172356
N-[2-oxo-2-[[4-(3-pyridin-4-ylphenyl)-1,3-thiazol-2-yl]amino]ethyl]-1H-imidazole-5-carboxamide
CID 154669466
4-amino-N-[(3S)-5-methylsulfanyl-2-oxo-1-[4-(3-pyridin-4-ylphenyl)-1,3-thiazol-2-yl]pentan-3-yl]benzamide
CID 161010855
N-[3-(2H-tetrazol-5-yl)phenyl]-1H-indazole-5-carboxamide
CID 56851706
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
3-(1H-indazole-5-carbonylamino)propanoic acid
CID 43354730
2-[methyl-[4-[3-[2-[3-[(5-methyl-1-methylsulfonylpyrrole-3-carbonyl)amino]-2-oxopropyl]-1,3-thiazol-4-yl]phenyl]-2-pyridinyl]amino]acetic acid
CID 165105991

Frequently Asked Questions

What is the IUPAC name of N-[2-oxo-3-[4-(3-pyridin-4-ylphenyl)-1,3-thiazol-2-yl]propyl]-1H-indazole-5-carboxamide?
The IUPAC name of N-[2-oxo-3-[4-(3-pyridin-4-ylphenyl)-1,3-thiazol-2-yl]propyl]-1H-indazole-5-carboxamide (CID 159882181) is N-[2-oxo-3-[4-(3-pyridin-4-ylphenyl)-1,3-thiazol-2-yl]propyl]-1H-indazole-5-carboxamide.
What is the SMILES notation for N-[2-oxo-3-[4-(3-pyridin-4-ylphenyl)-1,3-thiazol-2-yl]propyl]-1H-indazole-5-carboxamide?
The canonical SMILES for N-[2-oxo-3-[4-(3-pyridin-4-ylphenyl)-1,3-thiazol-2-yl]propyl]-1H-indazole-5-carboxamide is O=C(CNC(=O)c1ccc2[nH]ncc2c1)Cc1nc(-c2cccc(-c3ccncc3)c2)cs1.
What is the InChIKey of N-[2-oxo-3-[4-(3-pyridin-4-ylphenyl)-1,3-thiazol-2-yl]propyl]-1H-indazole-5-carboxamide?
The InChIKey is NTQWFORMQKKBTR-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H19N5O2S/c31-21(14-27-25(32)19-4-5-22-20(11-19)13-28-30-22)12-24-29-23(15-33-24)18-3-1-2-17(10-18)16-6-8-26-9-7-16/h1-11,13,15H,12,14H2,(H,27,32)(H,28,30).
What are the key properties of N-[2-oxo-3-[4-(3-pyridin-4-ylphenyl)-1,3-thiazol-2-yl]propyl]-1H-indazole-5-carboxamide?
N-[2-oxo-3-[4-(3-pyridin-4-ylphenyl)-1,3-thiazol-2-yl]propyl]-1H-indazole-5-carboxamide has a molecular weight of 453.53 g/mol, XLogP of 4.29, 7 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-oxo-3-[4-(3-pyridin-4-ylphenyl)-1,3-thiazol-2-yl]propyl]-1H-indazole-5-carboxamide is sourced from PubChem (CID 159882181), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).