N-[(4R)-1-(3,5-difluorophenyl)-4,5,6,7-tetrahydroindazol-4-yl]-4-methylthiadiazole-5-carboxamide

C17H15F2N5OS — CID 42245579

IUPACN-[(4R)-1-(3,5-difluorophenyl)-4,5,6,7-tetrahydroindazol-4-yl]-4-methylthiadiazole-5-carboxamide
SMILESCc1nnsc1C(=O)N[C@@H]1CCCc2c1cnn2-c1cc(F)cc(F)c1
InChIInChI=1S/C17H15F2N5OS/c1-9-16(26-23-22-9)17(25)21-14-3-2-4-15-13(14)8-20-24(15)12-6-10(18)5-11(19)7-12/h5-8,14H,2-4H2,1H3,(H,21,25)/t14-/m1/s1
InChIKeyNHSZENSLMXDXKR-CQSZACIVSA-N
MW375.40 g/mol
LogP3.12
Rot. Bonds3

About N-[(4R)-1-(3,5-difluorophenyl)-4,5,6,7-tetrahydroindazol-4-yl]-4-methylthiadiazole-5-carboxamide

N-[(4R)-1-(3,5-difluorophenyl)-4,5,6,7-tetrahydroindazol-4-yl]-4-methylthiadiazole-5-carboxamide (PubChem CID 42245579) has the molecular formula C17H15F2N5OS and a molecular weight of 375.40 g/mol. Its IUPAC name is N-[(4R)-1-(3,5-difluorophenyl)-4,5,6,7-tetrahydroindazol-4-yl]-4-methylthiadiazole-5-carboxamide.

Molecular Properties

Compound NameN-[(4R)-1-(3,5-difluorophenyl)-4,5,6,7-tetrahydroindazol-4-yl]-4-methylthiadiazole-5-carboxamide
PubChem CID42245579
Molecular FormulaC17H15F2N5OS
Molecular Weight375.40 g/mol
Exact Mass375.10
IUPAC NameN-[(4R)-1-(3,5-difluorophenyl)-4,5,6,7-tetrahydroindazol-4-yl]-4-methylthiadiazole-5-carboxamide
SMILESCc1nnsc1C(=O)N[C@@H]1CCCc2c1cnn2-c1cc(F)cc(F)c1
InChIInChI=1S/C17H15F2N5OS/c1-9-16(26-23-22-9)17(25)21-14-3-2-4-15-13(14)8-20-24(15)12-6-10(18)5-11(19)7-12/h5-8,14H,2-4H2,1H3,(H,21,25)/t14-/m1/s1
InChIKeyNHSZENSLMXDXKR-CQSZACIVSA-N
XLogP3.12
TPSA72.70 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds3
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500375.40
LogP ≤ 53.12
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

Analyze N-[(4R)-1-(3,5-difluorophenyl)-4,5,6,7-tetrahydroindazol-4-yl]-4-methylthiadiazole-5-carboxamide with MolForge

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Related Compounds

4-methyl-N-[(4R)-1-pyridin-2-yl-4,5,6,7-tetrahydroindazol-4-yl]thiadiazole-5-carboxamide
CID 95202854
N-[1-(3,5-difluorophenyl)-4,5,6,7-tetrahydroindazol-4-yl]-2,2-dimethylpropanamide
CID 72864626
N-[(4S)-1-(3,5-difluorophenyl)-4,5,6,7-tetrahydroindazol-4-yl]-2-hydroxyacetamide
CID 97125555
N-[(4S)-1-(3,5-difluorophenyl)-4,5,6,7-tetrahydroindazol-4-yl]-2-hydroxybenzamide
CID 97140880
1-acetyl-N-[1-(3,5-difluorophenyl)-4,5,6,7-tetrahydroindazol-4-yl]piperidine-4-carboxamide
CID 24794165
N-[1-(3,5-dimethylphenyl)-4,5,6,7-tetrahydroindazol-4-yl]thiadiazole-4-carboxamide
CID 24794037
N-[(4S)-1-(3,5-difluorophenyl)-4,5,6,7-tetrahydroindazol-4-yl]-6-methoxyhexanamide
CID 97132643
N-[1-(3,5-difluorophenyl)-4,5,6,7-tetrahydroindazol-4-yl]-2-[(5-methyl-1,3,4-oxadiazol-2-yl)sulfanyl]acetamide
CID 24791231
1-[1-(3,5-difluorophenyl)-4,5,6,7-tetrahydroindazol-4-yl]-3-phenylurea
CID 72856967
4-methyl-N-[(5S)-2-methyl-5,6,7,8-tetrahydroquinazolin-5-yl]thiadiazole-5-carboxamide
CID 95740697
N-[(4R)-1-(3,5-dimethylphenyl)-4,5,6,7-tetrahydroindazol-4-yl]-5-methyl-1,2-oxazole-3-carboxamide
CID 77068373
N-[(4R)-1-(3,5-dimethylphenyl)-4,5,6,7-tetrahydroindazol-4-yl]-2-hydroxyacetamide
CID 97145523

Frequently Asked Questions

What is the IUPAC name of N-[(4R)-1-(3,5-difluorophenyl)-4,5,6,7-tetrahydroindazol-4-yl]-4-methylthiadiazole-5-carboxamide?
The IUPAC name of N-[(4R)-1-(3,5-difluorophenyl)-4,5,6,7-tetrahydroindazol-4-yl]-4-methylthiadiazole-5-carboxamide (CID 42245579) is N-[(4R)-1-(3,5-difluorophenyl)-4,5,6,7-tetrahydroindazol-4-yl]-4-methylthiadiazole-5-carboxamide.
What is the SMILES notation for N-[(4R)-1-(3,5-difluorophenyl)-4,5,6,7-tetrahydroindazol-4-yl]-4-methylthiadiazole-5-carboxamide?
The canonical SMILES for N-[(4R)-1-(3,5-difluorophenyl)-4,5,6,7-tetrahydroindazol-4-yl]-4-methylthiadiazole-5-carboxamide is Cc1nnsc1C(=O)N[C@@H]1CCCc2c1cnn2-c1cc(F)cc(F)c1.
What is the InChIKey of N-[(4R)-1-(3,5-difluorophenyl)-4,5,6,7-tetrahydroindazol-4-yl]-4-methylthiadiazole-5-carboxamide?
The InChIKey is NHSZENSLMXDXKR-CQSZACIVSA-N. The full InChI is InChI=1S/C17H15F2N5OS/c1-9-16(26-23-22-9)17(25)21-14-3-2-4-15-13(14)8-20-24(15)12-6-10(18)5-11(19)7-12/h5-8,14H,2-4H2,1H3,(H,21,25)/t14-/m1/s1.
What are the key properties of N-[(4R)-1-(3,5-difluorophenyl)-4,5,6,7-tetrahydroindazol-4-yl]-4-methylthiadiazole-5-carboxamide?
N-[(4R)-1-(3,5-difluorophenyl)-4,5,6,7-tetrahydroindazol-4-yl]-4-methylthiadiazole-5-carboxamide has a molecular weight of 375.40 g/mol, XLogP of 3.12, 3 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(4R)-1-(3,5-difluorophenyl)-4,5,6,7-tetrahydroindazol-4-yl]-4-methylthiadiazole-5-carboxamide is sourced from PubChem (CID 42245579), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).