N-cyclopentyl-N-methyl-5-[2,2,2-trifluoro-1-hydroxy-1-(1-methylindol-3-yl)ethyl]indazole-1-carboxamide;5-[2,2,2-trifluoro-1-hydroxy-1-(1-methylindol-3-yl)ethyl]indazole-1-carboxylic acid

C44H39F6N7O5 — CID 162065926

IUPACN-cyclopentyl-N-methyl-5-[2,2,2-trifluoro-1-hydroxy-1-(1-methylindol-3-yl)ethyl]indazole-1-carboxamide;5-[2,2,2-trifluoro-1-hydroxy-1-(1-methylindol-3-yl)ethyl]indazole-1-carboxylic acid
SMILESCN(C(=O)n1ncc2cc(C(O)(c3cn(C)c4ccccc34)C(F)(F)F)ccc21)C1CCCC1.Cn1cc(C(O)(c2ccc3c(cnn3C(=O)O)c2)C(F)(F)F)c2ccccc21
InChIInChI=1S/C25H25F3N4O2.C19H14F3N3O3/c1-30-15-20(19-9-5-6-10-22(19)30)24(34,25(26,27)28)17-11-12-21-16(13-17)14-29-32(21)23(33)31(2)18-7-3-4-8-18;1-24-10-14(13-4-2-3-5-16(13)24)18(28,19(20,21)22)12-6-7-15-11(8-12)9-23-25(15)17(26)27/h5-6,9-15,18,34H,3-4,7-8H2,1-2H3;2-10,28H,1H3,(H,26,27)
InChIKeyZALMBVBOKAGPIO-UHFFFAOYSA-N
MW859.83 g/mol
LogP9.02
Rot. Bonds5

About N-cyclopentyl-N-methyl-5-[2,2,2-trifluoro-1-hydroxy-1-(1-methylindol-3-yl)ethyl]indazole-1-carboxamide;5-[2,2,2-trifluoro-1-hydroxy-1-(1-methylindol-3-yl)ethyl]indazole-1-carboxylic acid

N-cyclopentyl-N-methyl-5-[2,2,2-trifluoro-1-hydroxy-1-(1-methylindol-3-yl)ethyl]indazole-1-carboxamide;5-[2,2,2-trifluoro-1-hydroxy-1-(1-methylindol-3-yl)ethyl]indazole-1-carboxylic acid (PubChem CID 162065926) has the molecular formula C44H39F6N7O5 and a molecular weight of 859.83 g/mol. Its IUPAC name is N-cyclopentyl-N-methyl-5-[2,2,2-trifluoro-1-hydroxy-1-(1-methylindol-3-yl)ethyl]indazole-1-carboxamide;5-[2,2,2-trifluoro-1-hydroxy-1-(1-methylindol-3-yl)ethyl]indazole-1-carboxylic acid.

Molecular Properties

Compound NameN-cyclopentyl-N-methyl-5-[2,2,2-trifluoro-1-hydroxy-1-(1-methylindol-3-yl)ethyl]indazole-1-carboxamide;5-[2,2,2-trifluoro-1-hydroxy-1-(1-methylindol-3-yl)ethyl]indazole-1-carboxylic acid
PubChem CID162065926
Molecular FormulaC44H39F6N7O5
Molecular Weight859.83 g/mol
Exact Mass859.29
IUPAC NameN-cyclopentyl-N-methyl-5-[2,2,2-trifluoro-1-hydroxy-1-(1-methylindol-3-yl)ethyl]indazole-1-carboxamide;5-[2,2,2-trifluoro-1-hydroxy-1-(1-methylindol-3-yl)ethyl]indazole-1-carboxylic acid
SMILESCN(C(=O)n1ncc2cc(C(O)(c3cn(C)c4ccccc34)C(F)(F)F)ccc21)C1CCCC1.Cn1cc(C(O)(c2ccc3c(cnn3C(=O)O)c2)C(F)(F)F)c2ccccc21
InChIInChI=1S/C25H25F3N4O2.C19H14F3N3O3/c1-30-15-20(19-9-5-6-10-22(19)30)24(34,25(26,27)28)17-11-12-21-16(13-17)14-29-32(21)23(33)31(2)18-7-3-4-8-18;1-24-10-14(13-4-2-3-5-16(13)24)18(28,19(20,21)22)12-6-7-15-11(8-12)9-23-25(15)17(26)27/h5-6,9-15,18,34H,3-4,7-8H2,1-2H3;2-10,28H,1H3,(H,26,27)
InChIKeyZALMBVBOKAGPIO-UHFFFAOYSA-N
XLogP9.02
TPSA143.57 Ų
H-Bond Donors3
H-Bond Acceptors10
Rotatable Bonds5
Heavy Atoms62
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500859.83
LogP ≤ 59.02
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 1010

Analyze N-cyclopentyl-N-methyl-5-[2,2,2-trifluoro-1-hydroxy-1-(1-methylindol-3-yl)ethyl]indazole-1-carboxamide;5-[2,2,2-trifluoro-1-hydroxy-1-(1-methylindol-3-yl)ethyl]indazole-1-carboxylic acid with MolForge

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Related Compounds

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Frequently Asked Questions

What is the IUPAC name of N-cyclopentyl-N-methyl-5-[2,2,2-trifluoro-1-hydroxy-1-(1-methylindol-3-yl)ethyl]indazole-1-carboxamide;5-[2,2,2-trifluoro-1-hydroxy-1-(1-methylindol-3-yl)ethyl]indazole-1-carboxylic acid?
The IUPAC name of N-cyclopentyl-N-methyl-5-[2,2,2-trifluoro-1-hydroxy-1-(1-methylindol-3-yl)ethyl]indazole-1-carboxamide;5-[2,2,2-trifluoro-1-hydroxy-1-(1-methylindol-3-yl)ethyl]indazole-1-carboxylic acid (CID 162065926) is N-cyclopentyl-N-methyl-5-[2,2,2-trifluoro-1-hydroxy-1-(1-methylindol-3-yl)ethyl]indazole-1-carboxamide;5-[2,2,2-trifluoro-1-hydroxy-1-(1-methylindol-3-yl)ethyl]indazole-1-carboxylic acid.
What is the SMILES notation for N-cyclopentyl-N-methyl-5-[2,2,2-trifluoro-1-hydroxy-1-(1-methylindol-3-yl)ethyl]indazole-1-carboxamide;5-[2,2,2-trifluoro-1-hydroxy-1-(1-methylindol-3-yl)ethyl]indazole-1-carboxylic acid?
The canonical SMILES for N-cyclopentyl-N-methyl-5-[2,2,2-trifluoro-1-hydroxy-1-(1-methylindol-3-yl)ethyl]indazole-1-carboxamide;5-[2,2,2-trifluoro-1-hydroxy-1-(1-methylindol-3-yl)ethyl]indazole-1-carboxylic acid is CN(C(=O)n1ncc2cc(C(O)(c3cn(C)c4ccccc34)C(F)(F)F)ccc21)C1CCCC1.Cn1cc(C(O)(c2ccc3c(cnn3C(=O)O)c2)C(F)(F)F)c2ccccc21.
What is the InChIKey of N-cyclopentyl-N-methyl-5-[2,2,2-trifluoro-1-hydroxy-1-(1-methylindol-3-yl)ethyl]indazole-1-carboxamide;5-[2,2,2-trifluoro-1-hydroxy-1-(1-methylindol-3-yl)ethyl]indazole-1-carboxylic acid?
The InChIKey is ZALMBVBOKAGPIO-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H25F3N4O2.C19H14F3N3O3/c1-30-15-20(19-9-5-6-10-22(19)30)24(34,25(26,27)28)17-11-12-21-16(13-17)14-29-32(21)23(33)31(2)18-7-3-4-8-18;1-24-10-14(13-4-2-3-5-16(13)24)18(28,19(20,21)22)12-6-7-15-11(8-12)9-23-25(15)17(26)27/h5-6,9-15,18,34H,3-4,7-8H2,1-2H3;2-10,28H,1H3,(H,26,27).
What are the key properties of N-cyclopentyl-N-methyl-5-[2,2,2-trifluoro-1-hydroxy-1-(1-methylindol-3-yl)ethyl]indazole-1-carboxamide;5-[2,2,2-trifluoro-1-hydroxy-1-(1-methylindol-3-yl)ethyl]indazole-1-carboxylic acid?
N-cyclopentyl-N-methyl-5-[2,2,2-trifluoro-1-hydroxy-1-(1-methylindol-3-yl)ethyl]indazole-1-carboxamide;5-[2,2,2-trifluoro-1-hydroxy-1-(1-methylindol-3-yl)ethyl]indazole-1-carboxylic acid has a molecular weight of 859.83 g/mol, XLogP of 9.02, 5 rotatable bonds, 3 hydrogen bond donors, and 10 hydrogen bond acceptors.
Where does this data come from?
All data for N-cyclopentyl-N-methyl-5-[2,2,2-trifluoro-1-hydroxy-1-(1-methylindol-3-yl)ethyl]indazole-1-carboxamide;5-[2,2,2-trifluoro-1-hydroxy-1-(1-methylindol-3-yl)ethyl]indazole-1-carboxylic acid is sourced from PubChem (CID 162065926), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).