4-(4-fluorophenyl)-5-(1H-indazol-5-yl)-1-[3-(4-methylpiperazin-1-yl)propyl]indazole

C28H29FN6 — CID 142763267

IUPAC4-(4-fluorophenyl)-5-(1H-indazol-5-yl)-1-[3-(4-methylpiperazin-1-yl)propyl]indazole
SMILESCN1CCN(CCCn2ncc3c(-c4ccc(F)cc4)c(-c4ccc5[nH]ncc5c4)ccc32)CC1
InChIInChI=1S/C28H29FN6/c1-33-13-15-34(16-14-33)11-2-12-35-27-10-8-24(21-5-9-26-22(17-21)18-30-32-26)28(25(27)19-31-35)20-3-6-23(29)7-4-20/h3-10,17-19H,2,11-16H2,1H3,(H,30,32)
InChIKeyJMGLKGWTSRVLFN-UHFFFAOYSA-N
MW468.58 g/mol
LogP5.02
Rot. Bonds6

About 4-(4-fluorophenyl)-5-(1H-indazol-5-yl)-1-[3-(4-methylpiperazin-1-yl)propyl]indazole

4-(4-fluorophenyl)-5-(1H-indazol-5-yl)-1-[3-(4-methylpiperazin-1-yl)propyl]indazole (PubChem CID 142763267) has the molecular formula C28H29FN6 and a molecular weight of 468.58 g/mol. Its IUPAC name is 4-(4-fluorophenyl)-5-(1H-indazol-5-yl)-1-[3-(4-methylpiperazin-1-yl)propyl]indazole.

Molecular Properties

Compound Name4-(4-fluorophenyl)-5-(1H-indazol-5-yl)-1-[3-(4-methylpiperazin-1-yl)propyl]indazole
PubChem CID142763267
Molecular FormulaC28H29FN6
Molecular Weight468.58 g/mol
Exact Mass468.24
IUPAC Name4-(4-fluorophenyl)-5-(1H-indazol-5-yl)-1-[3-(4-methylpiperazin-1-yl)propyl]indazole
SMILESCN1CCN(CCCn2ncc3c(-c4ccc(F)cc4)c(-c4ccc5[nH]ncc5c4)ccc32)CC1
InChIInChI=1S/C28H29FN6/c1-33-13-15-34(16-14-33)11-2-12-35-27-10-8-24(21-5-9-26-22(17-21)18-30-32-26)28(25(27)19-31-35)20-3-6-23(29)7-4-20/h3-10,17-19H,2,11-16H2,1H3,(H,30,32)
InChIKeyJMGLKGWTSRVLFN-UHFFFAOYSA-N
XLogP5.02
TPSA52.98 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms35
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500468.58
LogP ≤ 55.02
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

3-[5-(Piperidin-1-ylmethyl)-1h-indol-2-yl]-6-(2h-1,2,3-triazol-2-yl)-1h-indazole
CID 135559067
6-Phenyl-3-[5-(piperidin-1-ylmethyl)-1h-indol-2-yl]-1h-indazole
CID 135559068
N-[1-(3-fluoropropyl)azetidin-3-yl]-N-methyl-6-[(6S,8R)-8-methyl-7-(2,2,2-trifluoroethyl)-3,6,8,9-tetrahydropyrazolo[4,3-f]isoquinolin-6-yl]pyridin-3-amine
CID 134453535
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-1-methyl-7-[5-(trifluoromethyl)-1H-pyrazol-4-yl]-8,9,10,11-tetrahydro-2H-pyrazolo[4,3-a]phenanthridine
CID 155151783
5-fluoro-3-[3-[4-[4-fluoro-2-(1H-pyrazol-4-yl)phenyl]piperazin-1-yl]propyl]-1H-indole
CID 155552188
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
6-(5-methyl-1H-1,2,3-triazol-1-yl)-3-[5-(piperidin-1-ylmethyl)-1H-indol-2-yl]-1H-indazole
CID 135559065
3-[5-(piperidin-1-ylmethyl)-1H-indol-2-yl]-6-(1H-pyrazol-1-yl)-1H-indazole
CID 135559066

Frequently Asked Questions

What is the IUPAC name of 4-(4-fluorophenyl)-5-(1H-indazol-5-yl)-1-[3-(4-methylpiperazin-1-yl)propyl]indazole?
The IUPAC name of 4-(4-fluorophenyl)-5-(1H-indazol-5-yl)-1-[3-(4-methylpiperazin-1-yl)propyl]indazole (CID 142763267) is 4-(4-fluorophenyl)-5-(1H-indazol-5-yl)-1-[3-(4-methylpiperazin-1-yl)propyl]indazole.
What is the SMILES notation for 4-(4-fluorophenyl)-5-(1H-indazol-5-yl)-1-[3-(4-methylpiperazin-1-yl)propyl]indazole?
The canonical SMILES for 4-(4-fluorophenyl)-5-(1H-indazol-5-yl)-1-[3-(4-methylpiperazin-1-yl)propyl]indazole is CN1CCN(CCCn2ncc3c(-c4ccc(F)cc4)c(-c4ccc5[nH]ncc5c4)ccc32)CC1.
What is the InChIKey of 4-(4-fluorophenyl)-5-(1H-indazol-5-yl)-1-[3-(4-methylpiperazin-1-yl)propyl]indazole?
The InChIKey is JMGLKGWTSRVLFN-UHFFFAOYSA-N. The full InChI is InChI=1S/C28H29FN6/c1-33-13-15-34(16-14-33)11-2-12-35-27-10-8-24(21-5-9-26-22(17-21)18-30-32-26)28(25(27)19-31-35)20-3-6-23(29)7-4-20/h3-10,17-19H,2,11-16H2,1H3,(H,30,32).
What are the key properties of 4-(4-fluorophenyl)-5-(1H-indazol-5-yl)-1-[3-(4-methylpiperazin-1-yl)propyl]indazole?
4-(4-fluorophenyl)-5-(1H-indazol-5-yl)-1-[3-(4-methylpiperazin-1-yl)propyl]indazole has a molecular weight of 468.58 g/mol, XLogP of 5.02, 6 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(4-fluorophenyl)-5-(1H-indazol-5-yl)-1-[3-(4-methylpiperazin-1-yl)propyl]indazole is sourced from PubChem (CID 142763267), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).