1-[(2-fluorophenyl)methyl]-3-pyrimidin-5-yl-4,5,6,7-tetrahydroindazole

C18H17FN4 — CID 53391158

IUPAC1-[(2-fluorophenyl)methyl]-3-pyrimidin-5-yl-4,5,6,7-tetrahydroindazole
SMILESFc1ccccc1Cn1nc(-c2cncnc2)c2c1CCCC2
InChIInChI=1S/C18H17FN4/c19-16-7-3-1-5-13(16)11-23-17-8-4-2-6-15(17)18(22-23)14-9-20-12-21-10-14/h1,3,5,7,9-10,12H,2,4,6,8,11H2
InChIKeyTUVBOZDBKRNXHT-UHFFFAOYSA-N
MW308.36 g/mol
LogP3.41
Rot. Bonds3

About 1-[(2-fluorophenyl)methyl]-3-pyrimidin-5-yl-4,5,6,7-tetrahydroindazole

1-[(2-fluorophenyl)methyl]-3-pyrimidin-5-yl-4,5,6,7-tetrahydroindazole (PubChem CID 53391158) has the molecular formula C18H17FN4 and a molecular weight of 308.36 g/mol. Its IUPAC name is 1-[(2-fluorophenyl)methyl]-3-pyrimidin-5-yl-4,5,6,7-tetrahydroindazole.

Molecular Properties

Compound Name1-[(2-fluorophenyl)methyl]-3-pyrimidin-5-yl-4,5,6,7-tetrahydroindazole
PubChem CID53391158
Molecular FormulaC18H17FN4
Molecular Weight308.36 g/mol
Exact Mass308.14
IUPAC Name1-[(2-fluorophenyl)methyl]-3-pyrimidin-5-yl-4,5,6,7-tetrahydroindazole
SMILESFc1ccccc1Cn1nc(-c2cncnc2)c2c1CCCC2
InChIInChI=1S/C18H17FN4/c19-16-7-3-1-5-13(16)11-23-17-8-4-2-6-15(17)18(22-23)14-9-20-12-21-10-14/h1,3,5,7,9-10,12H,2,4,6,8,11H2
InChIKeyTUVBOZDBKRNXHT-UHFFFAOYSA-N
XLogP3.41
TPSA43.60 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500308.36
LogP ≤ 53.41
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Related Compounds

1-(2-fluorophenyl)-N-[2-(3-pyridin-4-yl-4,5,6,7-tetrahydroindazol-1-yl)ethyl]methanesulfonamide
CID 90614408
2-[6-amino-2-[1-[(2-fluorophenyl)methyl]-5,6-dihydro-4H-cyclopenta[d]pyrazol-3-yl]-5-methoxypyrimidin-4-yl]acetamide
CID 90012848
1-ethyl-3-phenyl-5,6-dihydro-4H-cyclopenta[d]pyrazole
CID 121214529
3-benzyl-1-[(2-fluorophenyl)methyl]-4,5,6,7-tetrahydropyrazolo[4,3-c]pyridine
CID 82587621
[2-[2-[1-[(2-fluorophenyl)methyl]-4,5-dihydropyrazolo[5,4-b]pyridin-3-yl]pyrimidin-5-yl]phenyl]methanol
CID 142853360
1-[1-[(2,4-difluorophenyl)methyl]-3-phenyl-6,7-dihydro-4H-pyrazolo[4,3-c]pyridin-5-yl]ethanone
CID 141360490
2-[1-[(2-fluorophenyl)methyl]-3-methyl-4,5,6,7-tetrahydroindazol-4-yl]ethanamine
CID 82592784
ethyl 4-[[5-(2-ethoxycarbonylphenoxy)-2-[1-[(2-fluorophenyl)methyl]-5,6-dihydro-4H-cyclopenta[d]pyrazol-3-yl]pyrimidin-4-yl]amino]pyridine-3-carboxylate
CID 90655893
tert-butyl 3-(4-chlorophenyl)-1-[(2-methylphenyl)methyl]-5,7,8,9-tetrahydro-4H-pyrazolo[4,5-d]azocine-6-carboxylate
CID 67269385
1-(2-chlorophenyl)-N-[2-(3-pyridin-4-yl-4,5,6,7-tetrahydroindazol-1-yl)ethyl]methanesulfonamide
CID 90614316
(3S)-1-[(2-fluorophenyl)methyl]-N-methyl-3-[(2-pyrimidin-5-ylphenyl)methyl]piperidine-3-carboxamide
CID 92609596
[1-[(2-fluorophenyl)methyl]-3-methyl-4,5,6,7-tetrahydroindol-2-yl]-pyrrolidin-1-ylmethanone
CID 42789636

Frequently Asked Questions

What is the IUPAC name of 1-[(2-fluorophenyl)methyl]-3-pyrimidin-5-yl-4,5,6,7-tetrahydroindazole?
The IUPAC name of 1-[(2-fluorophenyl)methyl]-3-pyrimidin-5-yl-4,5,6,7-tetrahydroindazole (CID 53391158) is 1-[(2-fluorophenyl)methyl]-3-pyrimidin-5-yl-4,5,6,7-tetrahydroindazole.
What is the SMILES notation for 1-[(2-fluorophenyl)methyl]-3-pyrimidin-5-yl-4,5,6,7-tetrahydroindazole?
The canonical SMILES for 1-[(2-fluorophenyl)methyl]-3-pyrimidin-5-yl-4,5,6,7-tetrahydroindazole is Fc1ccccc1Cn1nc(-c2cncnc2)c2c1CCCC2.
What is the InChIKey of 1-[(2-fluorophenyl)methyl]-3-pyrimidin-5-yl-4,5,6,7-tetrahydroindazole?
The InChIKey is TUVBOZDBKRNXHT-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H17FN4/c19-16-7-3-1-5-13(16)11-23-17-8-4-2-6-15(17)18(22-23)14-9-20-12-21-10-14/h1,3,5,7,9-10,12H,2,4,6,8,11H2.
What are the key properties of 1-[(2-fluorophenyl)methyl]-3-pyrimidin-5-yl-4,5,6,7-tetrahydroindazole?
1-[(2-fluorophenyl)methyl]-3-pyrimidin-5-yl-4,5,6,7-tetrahydroindazole has a molecular weight of 308.36 g/mol, XLogP of 3.41, 3 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[(2-fluorophenyl)methyl]-3-pyrimidin-5-yl-4,5,6,7-tetrahydroindazole is sourced from PubChem (CID 53391158), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).