1-(4-fluorophenyl)-N-(4-pyridin-2-yl-1,3-thiazol-2-yl)-4,5,6,7-tetrahydroindazole-3-carboxamide

C22H18FN5OS — CID 16618882

IUPAC1-(4-fluorophenyl)-N-(4-pyridin-2-yl-1,3-thiazol-2-yl)-4,5,6,7-tetrahydroindazole-3-carboxamide
SMILESO=C(Nc1nc(-c2ccccn2)cs1)c1nn(-c2ccc(F)cc2)c2c1CCCC2
InChIInChI=1S/C22H18FN5OS/c23-14-8-10-15(11-9-14)28-19-7-2-1-5-16(19)20(27-28)21(29)26-22-25-18(13-30-22)17-6-3-4-12-24-17/h3-4,6,8-13H,1-2,5,7H2,(H,25,26,29)
InChIKeyYHQHXXGTNJOBDR-UHFFFAOYSA-N
MW419.49 g/mol
LogP4.66
Rot. Bonds4

About 1-(4-fluorophenyl)-N-(4-pyridin-2-yl-1,3-thiazol-2-yl)-4,5,6,7-tetrahydroindazole-3-carboxamide

1-(4-fluorophenyl)-N-(4-pyridin-2-yl-1,3-thiazol-2-yl)-4,5,6,7-tetrahydroindazole-3-carboxamide (PubChem CID 16618882) has the molecular formula C22H18FN5OS and a molecular weight of 419.49 g/mol. Its IUPAC name is 1-(4-fluorophenyl)-N-(4-pyridin-2-yl-1,3-thiazol-2-yl)-4,5,6,7-tetrahydroindazole-3-carboxamide.

Molecular Properties

Compound Name1-(4-fluorophenyl)-N-(4-pyridin-2-yl-1,3-thiazol-2-yl)-4,5,6,7-tetrahydroindazole-3-carboxamide
PubChem CID16618882
Molecular FormulaC22H18FN5OS
Molecular Weight419.49 g/mol
Exact Mass419.12
IUPAC Name1-(4-fluorophenyl)-N-(4-pyridin-2-yl-1,3-thiazol-2-yl)-4,5,6,7-tetrahydroindazole-3-carboxamide
SMILESO=C(Nc1nc(-c2ccccn2)cs1)c1nn(-c2ccc(F)cc2)c2c1CCCC2
InChIInChI=1S/C22H18FN5OS/c23-14-8-10-15(11-9-14)28-19-7-2-1-5-16(19)20(27-28)21(29)26-22-25-18(13-30-22)17-6-3-4-12-24-17/h3-4,6,8-13H,1-2,5,7H2,(H,25,26,29)
InChIKeyYHQHXXGTNJOBDR-UHFFFAOYSA-N
XLogP4.66
TPSA72.70 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500419.49
LogP ≤ 54.66
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Related Compounds

1-(4-fluorophenyl)-N-[4-[4-(methanesulfonamido)phenyl]-1,3-thiazol-2-yl]-5,6-dihydro-4H-cyclopenta[d]pyrazole-3-carboxamide
CID 46691032
N-[5-fluoro-2-(pyridine-2-carbonylamino)phenyl]-1-phenyl-5,6,7,8-tetrahydro-4H-cyclohepta[d]pyrazole-3-carboxamide
CID 55984574
N-(2-carbamoylphenyl)-1-(4-fluorophenyl)-4,5,6,7-tetrahydroindazole-3-carboxamide
CID 134042509
N-(2,6-dimethylphenyl)-1-(4-fluorophenyl)-5,6-dihydro-4H-cyclopenta[d]pyrazole-3-carboxamide
CID 17442022
N-[2-(difluoromethylsulfonyl)phenyl]-1-(4-fluorophenyl)-5,6-dihydro-4H-cyclopenta[d]pyrazole-3-carboxamide
CID 55539108
1-(4-fluorophenyl)-N-[3-(methylcarbamoyl)phenyl]-4,5,6,7-tetrahydroindazole-3-carboxamide
CID 16618962
[1-(4-fluorophenyl)-4,5,6,7-tetrahydroindazol-3-yl]-(4-pyridin-2-ylpiperazin-1-yl)methanone
CID 16594851
2,6-difluoro-N-(4-pyridin-2-yl-1,3-thiazol-2-yl)benzamide
CID 73348030
N-(3-fluorophenyl)-1-(4-fluorophenyl)-5,6-dihydro-4H-cyclopenta[d]pyrazole-3-carboxamide
CID 25400778
N-(5-fluoro-2-methylphenyl)-1-(4-fluorophenyl)-4,5,6,7-tetrahydroindazole-3-carboxamide
CID 26017080
1-(4-fluorophenyl)-N-(5-methyl-1H-1,2,4-triazol-3-yl)-5,6-dihydro-4H-cyclopenta[d]pyrazole-3-carboxamide
CID 166192581
N-(3-bromophenyl)-1-(4-fluorophenyl)-4,5,6,7-tetrahydroindazole-3-carboxamide
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Frequently Asked Questions

What is the IUPAC name of 1-(4-fluorophenyl)-N-(4-pyridin-2-yl-1,3-thiazol-2-yl)-4,5,6,7-tetrahydroindazole-3-carboxamide?
The IUPAC name of 1-(4-fluorophenyl)-N-(4-pyridin-2-yl-1,3-thiazol-2-yl)-4,5,6,7-tetrahydroindazole-3-carboxamide (CID 16618882) is 1-(4-fluorophenyl)-N-(4-pyridin-2-yl-1,3-thiazol-2-yl)-4,5,6,7-tetrahydroindazole-3-carboxamide.
What is the SMILES notation for 1-(4-fluorophenyl)-N-(4-pyridin-2-yl-1,3-thiazol-2-yl)-4,5,6,7-tetrahydroindazole-3-carboxamide?
The canonical SMILES for 1-(4-fluorophenyl)-N-(4-pyridin-2-yl-1,3-thiazol-2-yl)-4,5,6,7-tetrahydroindazole-3-carboxamide is O=C(Nc1nc(-c2ccccn2)cs1)c1nn(-c2ccc(F)cc2)c2c1CCCC2.
What is the InChIKey of 1-(4-fluorophenyl)-N-(4-pyridin-2-yl-1,3-thiazol-2-yl)-4,5,6,7-tetrahydroindazole-3-carboxamide?
The InChIKey is YHQHXXGTNJOBDR-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H18FN5OS/c23-14-8-10-15(11-9-14)28-19-7-2-1-5-16(19)20(27-28)21(29)26-22-25-18(13-30-22)17-6-3-4-12-24-17/h3-4,6,8-13H,1-2,5,7H2,(H,25,26,29).
What are the key properties of 1-(4-fluorophenyl)-N-(4-pyridin-2-yl-1,3-thiazol-2-yl)-4,5,6,7-tetrahydroindazole-3-carboxamide?
1-(4-fluorophenyl)-N-(4-pyridin-2-yl-1,3-thiazol-2-yl)-4,5,6,7-tetrahydroindazole-3-carboxamide has a molecular weight of 419.49 g/mol, XLogP of 4.66, 4 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(4-fluorophenyl)-N-(4-pyridin-2-yl-1,3-thiazol-2-yl)-4,5,6,7-tetrahydroindazole-3-carboxamide is sourced from PubChem (CID 16618882), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).