4-(4-fluorophenyl)-5-(1H-indazol-5-yl)-1-piperidin-4-ylindazole

C25H22FN5 — CID 142760490

IUPAC4-(4-fluorophenyl)-5-(1H-indazol-5-yl)-1-piperidin-4-ylindazole
SMILESFc1ccc(-c2c(-c3ccc4[nH]ncc4c3)ccc3c2cnn3C2CCNCC2)cc1
InChIInChI=1S/C25H22FN5/c26-19-4-1-16(2-5-19)25-21(17-3-7-23-18(13-17)14-28-30-23)6-8-24-22(25)15-29-31(24)20-9-11-27-12-10-20/h1-8,13-15,20,27H,9-12H2,(H,28,30)
InChIKeyJUFFJKGOVKVJHD-UHFFFAOYSA-N
MW411.48 g/mol
LogP5.31
Rot. Bonds3

About 4-(4-fluorophenyl)-5-(1H-indazol-5-yl)-1-piperidin-4-ylindazole

4-(4-fluorophenyl)-5-(1H-indazol-5-yl)-1-piperidin-4-ylindazole (PubChem CID 142760490) has the molecular formula C25H22FN5 and a molecular weight of 411.48 g/mol. Its IUPAC name is 4-(4-fluorophenyl)-5-(1H-indazol-5-yl)-1-piperidin-4-ylindazole.

Molecular Properties

Compound Name4-(4-fluorophenyl)-5-(1H-indazol-5-yl)-1-piperidin-4-ylindazole
PubChem CID142760490
Molecular FormulaC25H22FN5
Molecular Weight411.48 g/mol
Exact Mass411.19
IUPAC Name4-(4-fluorophenyl)-5-(1H-indazol-5-yl)-1-piperidin-4-ylindazole
SMILESFc1ccc(-c2c(-c3ccc4[nH]ncc4c3)ccc3c2cnn3C2CCNCC2)cc1
InChIInChI=1S/C25H22FN5/c26-19-4-1-16(2-5-19)25-21(17-3-7-23-18(13-17)14-28-30-23)6-8-24-22(25)15-29-31(24)20-9-11-27-12-10-20/h1-8,13-15,20,27H,9-12H2,(H,28,30)
InChIKeyJUFFJKGOVKVJHD-UHFFFAOYSA-N
XLogP5.31
TPSA58.53 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms31
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500411.48
LogP ≤ 55.31
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

6-Phenyl-3-[5-(piperidin-1-ylmethyl)-1h-indol-2-yl]-1h-indazole
CID 135559068
5-(3-benzylpyrrolidin-3-yl)-1H-indazole
CID 44231144
7-[5-(trifluoromethyl)-1H-pyrazol-4-yl]-8,9,10,11-tetrahydro-3H-pyrazolo[4,3-a]phenanthridine
CID 142445421
N-[(3S)-1-(3-fluoropropyl)pyrrolidin-3-yl]-6-[(6S,8R)-8-methyl-7-(2,2,2-trifluoroethyl)-3,6,8,9-tetrahydropyrazolo[4,5-f]isoquinolin-6-yl]pyridin-3-amine
CID 142509033
1-methyl-7-[5-(trifluoromethyl)-1H-pyrazol-4-yl]-8,9,10,11-tetrahydro-2H-pyrazolo[4,3-a]phenanthridine
CID 150939945
5-fluoro-3-[3-[4-[4-fluoro-2-(1H-pyrazol-4-yl)phenyl]piperazin-1-yl]propyl]-1H-indole
CID 155552188
1-(2-benzyl-4-(8-azabicyclo[3.2.1]octan-8-yl)benzyl)-3-(1H-indazol-4-yl)urea
CID 16749568
N-[(2S)-2-amino-3-phenylpropyl]-5-(3-methyl-1H-indazol-5-yl)pyridin-3-amine
CID 23647013
6-[1-methyl-3-(pyridin-4-yl)-1H-pyrazol-4-yl]-1H-indazole
CID 25093328
3-phenyl-5-(pyridin-4-yl)-1H-indazole
CID 9878588
N-(3-fluoropropyl)-N'-[6-[(6S,8R)-8-methyl-7-(2,2,2-trifluoroethyl)-3,6,8,9-tetrahydropyrazolo[4,5-f]isoquinolin-6-yl]-3-pyridinyl]ethane-1,2-diamine
CID 162648239
N-[(3S)-1-(3-fluoropropyl)pyrrolidin-3-yl]-N-methyl-6-[(6S,8R)-8-methyl-7-(2,2,2-trifluoroethyl)-3,6,8,9-tetrahydropyrazolo[4,5-f]isoquinolin-6-yl]pyridin-3-amine
CID 162675739

Frequently Asked Questions

What is the IUPAC name of 4-(4-fluorophenyl)-5-(1H-indazol-5-yl)-1-piperidin-4-ylindazole?
The IUPAC name of 4-(4-fluorophenyl)-5-(1H-indazol-5-yl)-1-piperidin-4-ylindazole (CID 142760490) is 4-(4-fluorophenyl)-5-(1H-indazol-5-yl)-1-piperidin-4-ylindazole.
What is the SMILES notation for 4-(4-fluorophenyl)-5-(1H-indazol-5-yl)-1-piperidin-4-ylindazole?
The canonical SMILES for 4-(4-fluorophenyl)-5-(1H-indazol-5-yl)-1-piperidin-4-ylindazole is Fc1ccc(-c2c(-c3ccc4[nH]ncc4c3)ccc3c2cnn3C2CCNCC2)cc1.
What is the InChIKey of 4-(4-fluorophenyl)-5-(1H-indazol-5-yl)-1-piperidin-4-ylindazole?
The InChIKey is JUFFJKGOVKVJHD-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H22FN5/c26-19-4-1-16(2-5-19)25-21(17-3-7-23-18(13-17)14-28-30-23)6-8-24-22(25)15-29-31(24)20-9-11-27-12-10-20/h1-8,13-15,20,27H,9-12H2,(H,28,30).
What are the key properties of 4-(4-fluorophenyl)-5-(1H-indazol-5-yl)-1-piperidin-4-ylindazole?
4-(4-fluorophenyl)-5-(1H-indazol-5-yl)-1-piperidin-4-ylindazole has a molecular weight of 411.48 g/mol, XLogP of 5.31, 3 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(4-fluorophenyl)-5-(1H-indazol-5-yl)-1-piperidin-4-ylindazole is sourced from PubChem (CID 142760490), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).