(6R)-3-[5-(difluoromethoxy)-2-fluorophenyl]-N-(3-methyl-2H-furan-3-yl)-1-[1-(1,3-thiazol-2-yl)ethyl]-4,5,6,7-tetrahydroindazole-6-carboxamide

C25H25F3N4O3S — CID 175471861

IUPAC(6R)-3-[5-(difluoromethoxy)-2-fluorophenyl]-N-(3-methyl-2H-furan-3-yl)-1-[1-(1,3-thiazol-2-yl)ethyl]-4,5,6,7-tetrahydroindazole-6-carboxamide
SMILESCC(c1nccs1)n1nc(-c2cc(OC(F)F)ccc2F)c2c1C[C@H](C(=O)NC1(C)C=COC1)CC2
InChIInChI=1S/C25H25F3N4O3S/c1-14(23-29-8-10-36-23)32-20-11-15(22(33)30-25(2)7-9-34-13-25)3-5-17(20)21(31-32)18-12-16(35-24(27)28)4-6-19(18)26/h4,6-10,12,14-15,24H,3,5,11,13H2,1-2H3,(H,30,33)/t14?,15-,25?/m1/s1
InChIKeyXPGDVCCEWAGDRK-MRZZREBZSA-N
MW518.56 g/mol
LogP4.88
Rot. Bonds7

About (6R)-3-[5-(difluoromethoxy)-2-fluorophenyl]-N-(3-methyl-2H-furan-3-yl)-1-[1-(1,3-thiazol-2-yl)ethyl]-4,5,6,7-tetrahydroindazole-6-carboxamide

(6R)-3-[5-(difluoromethoxy)-2-fluorophenyl]-N-(3-methyl-2H-furan-3-yl)-1-[1-(1,3-thiazol-2-yl)ethyl]-4,5,6,7-tetrahydroindazole-6-carboxamide (PubChem CID 175471861) has the molecular formula C25H25F3N4O3S and a molecular weight of 518.56 g/mol. Its IUPAC name is (6R)-3-[5-(difluoromethoxy)-2-fluorophenyl]-N-(3-methyl-2H-furan-3-yl)-1-[1-(1,3-thiazol-2-yl)ethyl]-4,5,6,7-tetrahydroindazole-6-carboxamide.

Molecular Properties

Compound Name(6R)-3-[5-(difluoromethoxy)-2-fluorophenyl]-N-(3-methyl-2H-furan-3-yl)-1-[1-(1,3-thiazol-2-yl)ethyl]-4,5,6,7-tetrahydroindazole-6-carboxamide
PubChem CID175471861
Molecular FormulaC25H25F3N4O3S
Molecular Weight518.56 g/mol
Exact Mass518.16
IUPAC Name(6R)-3-[5-(difluoromethoxy)-2-fluorophenyl]-N-(3-methyl-2H-furan-3-yl)-1-[1-(1,3-thiazol-2-yl)ethyl]-4,5,6,7-tetrahydroindazole-6-carboxamide
SMILESCC(c1nccs1)n1nc(-c2cc(OC(F)F)ccc2F)c2c1C[C@H](C(=O)NC1(C)C=COC1)CC2
InChIInChI=1S/C25H25F3N4O3S/c1-14(23-29-8-10-36-23)32-20-11-15(22(33)30-25(2)7-9-34-13-25)3-5-17(20)21(31-32)18-12-16(35-24(27)28)4-6-19(18)26/h4,6-10,12,14-15,24H,3,5,11,13H2,1-2H3,(H,30,33)/t14?,15-,25?/m1/s1
InChIKeyXPGDVCCEWAGDRK-MRZZREBZSA-N
XLogP4.88
TPSA78.27 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds7
Heavy Atoms36
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500518.56
LogP ≤ 54.88
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

Analyze (6R)-3-[5-(difluoromethoxy)-2-fluorophenyl]-N-(3-methyl-2H-furan-3-yl)-1-[1-(1,3-thiazol-2-yl)ethyl]-4,5,6,7-tetrahydroindazole-6-carboxamide with MolForge

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Related Compounds

US20240140938, Example 80
CID 169222636
US20240140938, Example 5
CID 171902440
(3R)-3-[[2-methyl-2-[4-[3-(trifluoromethoxy)phenyl]pyrazol-1-yl]propanoyl]amino]-2-oxo-4-phenyl-N-(1,3-thiazol-2-ylmethyl)butanamide
CID 176455988
N-[(1R,6S)-6-amino-2,2-difluorocyclohexyl]-4-(6-methoxypyrazolo[1,5-a]pyridin-3-yl)-1,3-thiazole-2-carboxamide
CID 58385929
N-[(1R,2S)-1-(3,4-difluorophenyl)-1-[1-(4-fluorophenyl)indazol-5-yl]oxypropan-2-yl]-5-methyl-1,3-thiazole-2-carboxamide
CID 59339613
N-[(1R,2S)-1-(3-fluoro-4-methylphenyl)-1-[1-(4-fluorophenyl)indazol-5-yl]oxypropan-2-yl]-5-methyl-1,3-thiazole-2-carboxamide
CID 59339668
N-[(1R,2S)-1-(3-fluorophenyl)-1-[1-(4-fluorophenyl)indazol-5-yl]oxypropan-2-yl]-5-methyl-1,3-thiazole-2-carboxamide
CID 59339906
N-[(1S,2S)-1-(3-fluoro-4-methylphenyl)-1-[1-(4-fluorophenyl)indazol-5-yl]oxypropan-2-yl]-5-methyl-1,3-thiazole-2-carboxamide
CID 66812050
N-[(1S,2S)-1-(3,4-difluorophenyl)-1-[1-(4-fluorophenyl)indazol-5-yl]oxypropan-2-yl]-5-methyl-1,3-thiazole-2-carboxamide
CID 66812790
N-[(1S,2S)-1-(3-fluorophenyl)-1-[1-(4-fluorophenyl)indazol-5-yl]oxypropan-2-yl]-5-methyl-1,3-thiazole-2-carboxamide
CID 66812981
N-[(2S)-1-(3-fluorophenyl)-1-[1-(4-fluorophenyl)indazol-5-yl]oxypropan-2-yl]-5-methyl-1,3-thiazole-2-carboxamide
CID 68090583
2-[2-[1-tert-butyl-5-[3-(trifluoromethoxy)phenyl]pyrazol-4-yl]-1,3-thiazol-4-yl]-N-(oxan-4-ylmethyl)acetamide
CID 71250778

Frequently Asked Questions

What is the IUPAC name of (6R)-3-[5-(difluoromethoxy)-2-fluorophenyl]-N-(3-methyl-2H-furan-3-yl)-1-[1-(1,3-thiazol-2-yl)ethyl]-4,5,6,7-tetrahydroindazole-6-carboxamide?
The IUPAC name of (6R)-3-[5-(difluoromethoxy)-2-fluorophenyl]-N-(3-methyl-2H-furan-3-yl)-1-[1-(1,3-thiazol-2-yl)ethyl]-4,5,6,7-tetrahydroindazole-6-carboxamide (CID 175471861) is (6R)-3-[5-(difluoromethoxy)-2-fluorophenyl]-N-(3-methyl-2H-furan-3-yl)-1-[1-(1,3-thiazol-2-yl)ethyl]-4,5,6,7-tetrahydroindazole-6-carboxamide.
What is the SMILES notation for (6R)-3-[5-(difluoromethoxy)-2-fluorophenyl]-N-(3-methyl-2H-furan-3-yl)-1-[1-(1,3-thiazol-2-yl)ethyl]-4,5,6,7-tetrahydroindazole-6-carboxamide?
The canonical SMILES for (6R)-3-[5-(difluoromethoxy)-2-fluorophenyl]-N-(3-methyl-2H-furan-3-yl)-1-[1-(1,3-thiazol-2-yl)ethyl]-4,5,6,7-tetrahydroindazole-6-carboxamide is CC(c1nccs1)n1nc(-c2cc(OC(F)F)ccc2F)c2c1C[C@H](C(=O)NC1(C)C=COC1)CC2.
What is the InChIKey of (6R)-3-[5-(difluoromethoxy)-2-fluorophenyl]-N-(3-methyl-2H-furan-3-yl)-1-[1-(1,3-thiazol-2-yl)ethyl]-4,5,6,7-tetrahydroindazole-6-carboxamide?
The InChIKey is XPGDVCCEWAGDRK-MRZZREBZSA-N. The full InChI is InChI=1S/C25H25F3N4O3S/c1-14(23-29-8-10-36-23)32-20-11-15(22(33)30-25(2)7-9-34-13-25)3-5-17(20)21(31-32)18-12-16(35-24(27)28)4-6-19(18)26/h4,6-10,12,14-15,24H,3,5,11,13H2,1-2H3,(H,30,33)/t14?,15-,25?/m1/s1.
What are the key properties of (6R)-3-[5-(difluoromethoxy)-2-fluorophenyl]-N-(3-methyl-2H-furan-3-yl)-1-[1-(1,3-thiazol-2-yl)ethyl]-4,5,6,7-tetrahydroindazole-6-carboxamide?
(6R)-3-[5-(difluoromethoxy)-2-fluorophenyl]-N-(3-methyl-2H-furan-3-yl)-1-[1-(1,3-thiazol-2-yl)ethyl]-4,5,6,7-tetrahydroindazole-6-carboxamide has a molecular weight of 518.56 g/mol, XLogP of 4.88, 7 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for (6R)-3-[5-(difluoromethoxy)-2-fluorophenyl]-N-(3-methyl-2H-furan-3-yl)-1-[1-(1,3-thiazol-2-yl)ethyl]-4,5,6,7-tetrahydroindazole-6-carboxamide is sourced from PubChem (CID 175471861), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).