6-[5-[[3-(4-chlorophenyl)-3-hydroxypropyl]carbamoyl]thiophen-3-yl]-N-methyl-1H-indazole-3-carboxamide

C23H21ClN4O3S — CID 170334323

IUPAC6-[5-[[3-(4-chlorophenyl)-3-hydroxypropyl]carbamoyl]thiophen-3-yl]-N-methyl-1H-indazole-3-carboxamide
SMILESCNC(=O)c1n[nH]c2cc(-c3csc(C(=O)NCCC(O)c4ccc(Cl)cc4)c3)ccc12
InChIInChI=1S/C23H21ClN4O3S/c1-25-23(31)21-17-7-4-14(10-18(17)27-28-21)15-11-20(32-12-15)22(30)26-9-8-19(29)13-2-5-16(24)6-3-13/h2-7,10-12,19,29H,8-9H2,1H3,(H,25,31)(H,26,30)(H,27,28)
InChIKeyOWMTUNVONLCHDH-UHFFFAOYSA-N
MW468.97 g/mol
LogP4.16
Rot. Bonds7

About 6-[5-[[3-(4-chlorophenyl)-3-hydroxypropyl]carbamoyl]thiophen-3-yl]-N-methyl-1H-indazole-3-carboxamide

6-[5-[[3-(4-chlorophenyl)-3-hydroxypropyl]carbamoyl]thiophen-3-yl]-N-methyl-1H-indazole-3-carboxamide (PubChem CID 170334323) has the molecular formula C23H21ClN4O3S and a molecular weight of 468.97 g/mol. Its IUPAC name is 6-[5-[[3-(4-chlorophenyl)-3-hydroxypropyl]carbamoyl]thiophen-3-yl]-N-methyl-1H-indazole-3-carboxamide.

Molecular Properties

Compound Name6-[5-[[3-(4-chlorophenyl)-3-hydroxypropyl]carbamoyl]thiophen-3-yl]-N-methyl-1H-indazole-3-carboxamide
PubChem CID170334323
Molecular FormulaC23H21ClN4O3S
Molecular Weight468.97 g/mol
Exact Mass468.10
IUPAC Name6-[5-[[3-(4-chlorophenyl)-3-hydroxypropyl]carbamoyl]thiophen-3-yl]-N-methyl-1H-indazole-3-carboxamide
SMILESCNC(=O)c1n[nH]c2cc(-c3csc(C(=O)NCCC(O)c4ccc(Cl)cc4)c3)ccc12
InChIInChI=1S/C23H21ClN4O3S/c1-25-23(31)21-17-7-4-14(10-18(17)27-28-21)15-11-20(32-12-15)22(30)26-9-8-19(29)13-2-5-16(24)6-3-13/h2-7,10-12,19,29H,8-9H2,1H3,(H,25,31)(H,26,30)(H,27,28)
InChIKeyOWMTUNVONLCHDH-UHFFFAOYSA-N
XLogP4.16
TPSA107.11 Ų
H-Bond Donors4
H-Bond Acceptors5
Rotatable Bonds7
Heavy Atoms32
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500468.97
LogP ≤ 54.16
H-Bond Donors ≤ 54
H-Bond Acceptors ≤ 105

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Related Compounds

N-[3-(4-chlorophenyl)-3-hydroxypropyl]-4-methyl-2-[3-(methylcarbamoyl)-1H-indazol-6-yl]-1,3-thiazole-5-carboxamide
CID 166046723
N-[(3S)-3-(4-chlorophenyl)-3-hydroxypropyl]-4-methyl-2-[3-(methylcarbamoyl)-1H-indazol-6-yl]-1,3-thiazole-5-carboxamide
CID 166046707
N-methyl-6-[5-(3-phenylbutylcarbamoyl)thiophen-2-yl]-1H-indazole-3-carboxamide
CID 166046733
N-[3-(4-chlorophenyl)-3-hydroxypropyl]-3-methyl-6-propan-2-ylpyridine-2-carboxamide
CID 166839547
tert-butyl 3-[[5-[3-(methylcarbamoyl)-1H-indazol-6-yl]-2-(trideuteriomethoxy)pyridine-3-carbonyl]amino]propanoate
CID 175664700
3-(4-chlorophenyl)-N-[2-(4-chlorophenyl)-2-hydroxyethyl]-1H-pyrazole-5-carboxamide
CID 112814117
2-tert-butyl-N-[(3S)-3-(4-chlorophenyl)-3-hydroxypropyl]-5-methylpyridine-4-carboxamide
CID 165374235
N-[6-(4-chlorophenyl)-1H-indazol-3-yl]butanamide
CID 22319587
5-(2-amino-[1,2,4]triazolo[1,5-a]pyridin-7-yl)-N-[(3S)-3-(4-chlorophenyl)-3-hydroxypropyl]-2-ethylbenzamide
CID 164740549
N-[(2R)-2-(4-chlorophenyl)-2-hydroxyethyl]thiophene-2-carboxamide
CID 94290696
6-methoxy-N-propyl-1H-indazole-3-carboxamide
CID 110469559
N-(3-hydroxybutyl)-5-nitro-1H-indazole-3-carboxamide
CID 111429041

Frequently Asked Questions

What is the IUPAC name of 6-[5-[[3-(4-chlorophenyl)-3-hydroxypropyl]carbamoyl]thiophen-3-yl]-N-methyl-1H-indazole-3-carboxamide?
The IUPAC name of 6-[5-[[3-(4-chlorophenyl)-3-hydroxypropyl]carbamoyl]thiophen-3-yl]-N-methyl-1H-indazole-3-carboxamide (CID 170334323) is 6-[5-[[3-(4-chlorophenyl)-3-hydroxypropyl]carbamoyl]thiophen-3-yl]-N-methyl-1H-indazole-3-carboxamide.
What is the SMILES notation for 6-[5-[[3-(4-chlorophenyl)-3-hydroxypropyl]carbamoyl]thiophen-3-yl]-N-methyl-1H-indazole-3-carboxamide?
The canonical SMILES for 6-[5-[[3-(4-chlorophenyl)-3-hydroxypropyl]carbamoyl]thiophen-3-yl]-N-methyl-1H-indazole-3-carboxamide is CNC(=O)c1n[nH]c2cc(-c3csc(C(=O)NCCC(O)c4ccc(Cl)cc4)c3)ccc12.
What is the InChIKey of 6-[5-[[3-(4-chlorophenyl)-3-hydroxypropyl]carbamoyl]thiophen-3-yl]-N-methyl-1H-indazole-3-carboxamide?
The InChIKey is OWMTUNVONLCHDH-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H21ClN4O3S/c1-25-23(31)21-17-7-4-14(10-18(17)27-28-21)15-11-20(32-12-15)22(30)26-9-8-19(29)13-2-5-16(24)6-3-13/h2-7,10-12,19,29H,8-9H2,1H3,(H,25,31)(H,26,30)(H,27,28).
What are the key properties of 6-[5-[[3-(4-chlorophenyl)-3-hydroxypropyl]carbamoyl]thiophen-3-yl]-N-methyl-1H-indazole-3-carboxamide?
6-[5-[[3-(4-chlorophenyl)-3-hydroxypropyl]carbamoyl]thiophen-3-yl]-N-methyl-1H-indazole-3-carboxamide has a molecular weight of 468.97 g/mol, XLogP of 4.16, 7 rotatable bonds, 4 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 6-[5-[[3-(4-chlorophenyl)-3-hydroxypropyl]carbamoyl]thiophen-3-yl]-N-methyl-1H-indazole-3-carboxamide is sourced from PubChem (CID 170334323), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).