6-[[2-(4-fluorophenyl)-5-methylpyrrol-1-yl]methyl]-1H-indazole

C19H16FN3 — CID 151231214

IUPAC6-[[2-(4-fluorophenyl)-5-methylpyrrol-1-yl]methyl]-1H-indazole
SMILESCc1ccc(-c2ccc(F)cc2)n1Cc1ccc2cn[nH]c2c1
InChIInChI=1S/C19H16FN3/c1-13-2-9-19(15-5-7-17(20)8-6-15)23(13)12-14-3-4-16-11-21-22-18(16)10-14/h2-11H,12H2,1H3,(H,21,22)
InChIKeyNOIDYWMNMUQETB-UHFFFAOYSA-N
MW305.36 g/mol
LogP4.53
Rot. Bonds3

About 6-[[2-(4-fluorophenyl)-5-methylpyrrol-1-yl]methyl]-1H-indazole

6-[[2-(4-fluorophenyl)-5-methylpyrrol-1-yl]methyl]-1H-indazole (PubChem CID 151231214) has the molecular formula C19H16FN3 and a molecular weight of 305.36 g/mol. Its IUPAC name is 6-[[2-(4-fluorophenyl)-5-methylpyrrol-1-yl]methyl]-1H-indazole.

Molecular Properties

Compound Name6-[[2-(4-fluorophenyl)-5-methylpyrrol-1-yl]methyl]-1H-indazole
PubChem CID151231214
Molecular FormulaC19H16FN3
Molecular Weight305.36 g/mol
Exact Mass305.13
IUPAC Name6-[[2-(4-fluorophenyl)-5-methylpyrrol-1-yl]methyl]-1H-indazole
SMILESCc1ccc(-c2ccc(F)cc2)n1Cc1ccc2cn[nH]c2c1
InChIInChI=1S/C19H16FN3/c1-13-2-9-19(15-5-7-17(20)8-6-15)23(13)12-14-3-4-16-11-21-22-18(16)10-14/h2-11H,12H2,1H3,(H,21,22)
InChIKeyNOIDYWMNMUQETB-UHFFFAOYSA-N
XLogP4.53
TPSA33.61 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500305.36
LogP ≤ 54.53
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'pyrrole_C(8)', 'substructure': 'N/A'}

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Related Compounds

2-(4-fluorophenyl)-3-(1H-indazol-6-yl)-6-methylpyrazolo[1,5-b]pyridazine
CID 154704701
6-[(6-fluoro-2-azaspiro[3.3]heptan-2-yl)methyl]-1H-indazole
CID 170951262
N'-(1H-indazol-6-ylmethyl)ethanimidamide
CID 18356580
6-(1H-indazol-6-yl)-2-methylquinoline
CID 167950878
[(2S,4R)-1-(1H-indazol-6-ylmethyl)-4-methoxypyrrolidin-2-yl]methanol
CID 128979786
1-[4-[5-(1H-indazol-6-ylmethyl)-1H-1,2,4-triazol-3-yl]phenyl]-N,N-dimethylmethanamine
CID 167807562
6-methyl-1H-indazole;molecular hydrogen
CID 142103069
ethene;6-methyl-1H-indazole
CID 123213038
2-[4-(1H-indazol-6-ylmethyl)piperazin-1-yl]-5-methyl-1,3-benzoxazole
CID 127720538
5-[1-[(6-chloro-3-pyridinyl)methyl]-5-methylpyrazol-3-yl]-3-(4-fluorophenyl)-1,2,4-oxadiazole;fluoromethane;molecular fluorine
CID 143992792
ethyl (3R)-1-(1H-indazol-6-ylmethyl)piperidine-3-carboxylate
CID 124568084
N-(1H-indazol-6-ylmethyl)pentan-3-amine;hydrochloride
CID 115606796

Frequently Asked Questions

What is the IUPAC name of 6-[[2-(4-fluorophenyl)-5-methylpyrrol-1-yl]methyl]-1H-indazole?
The IUPAC name of 6-[[2-(4-fluorophenyl)-5-methylpyrrol-1-yl]methyl]-1H-indazole (CID 151231214) is 6-[[2-(4-fluorophenyl)-5-methylpyrrol-1-yl]methyl]-1H-indazole.
What is the SMILES notation for 6-[[2-(4-fluorophenyl)-5-methylpyrrol-1-yl]methyl]-1H-indazole?
The canonical SMILES for 6-[[2-(4-fluorophenyl)-5-methylpyrrol-1-yl]methyl]-1H-indazole is Cc1ccc(-c2ccc(F)cc2)n1Cc1ccc2cn[nH]c2c1.
What is the InChIKey of 6-[[2-(4-fluorophenyl)-5-methylpyrrol-1-yl]methyl]-1H-indazole?
The InChIKey is NOIDYWMNMUQETB-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H16FN3/c1-13-2-9-19(15-5-7-17(20)8-6-15)23(13)12-14-3-4-16-11-21-22-18(16)10-14/h2-11H,12H2,1H3,(H,21,22).
What are the key properties of 6-[[2-(4-fluorophenyl)-5-methylpyrrol-1-yl]methyl]-1H-indazole?
6-[[2-(4-fluorophenyl)-5-methylpyrrol-1-yl]methyl]-1H-indazole has a molecular weight of 305.36 g/mol, XLogP of 4.53, 3 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 6-[[2-(4-fluorophenyl)-5-methylpyrrol-1-yl]methyl]-1H-indazole is sourced from PubChem (CID 151231214), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).