4-fluoro-7-methyl-1-[2-(4-methylpiperazin-1-yl)-4-pyridinyl]indole

C19H21FN4 — CID 170159037

IUPAC4-fluoro-7-methyl-1-[2-(4-methylpiperazin-1-yl)-4-pyridinyl]indole
SMILESCc1ccc(F)c2ccn(-c3ccnc(N4CCN(C)CC4)c3)c12
InChIInChI=1S/C19H21FN4/c1-14-3-4-17(20)16-6-8-24(19(14)16)15-5-7-21-18(13-15)23-11-9-22(2)10-12-23/h3-8,13H,9-12H2,1-2H3
InChIKeyGWUXNUUXWIGUGU-UHFFFAOYSA-N
MW324.40 g/mol
LogP3.22
Rot. Bonds2

About 4-fluoro-7-methyl-1-[2-(4-methylpiperazin-1-yl)-4-pyridinyl]indole

4-fluoro-7-methyl-1-[2-(4-methylpiperazin-1-yl)-4-pyridinyl]indole (PubChem CID 170159037) has the molecular formula C19H21FN4 and a molecular weight of 324.40 g/mol. Its IUPAC name is 4-fluoro-7-methyl-1-[2-(4-methylpiperazin-1-yl)-4-pyridinyl]indole.

Molecular Properties

Compound Name4-fluoro-7-methyl-1-[2-(4-methylpiperazin-1-yl)-4-pyridinyl]indole
PubChem CID170159037
Molecular FormulaC19H21FN4
Molecular Weight324.40 g/mol
Exact Mass324.18
IUPAC Name4-fluoro-7-methyl-1-[2-(4-methylpiperazin-1-yl)-4-pyridinyl]indole
SMILESCc1ccc(F)c2ccn(-c3ccnc(N4CCN(C)CC4)c3)c12
InChIInChI=1S/C19H21FN4/c1-14-3-4-17(20)16-6-8-24(19(14)16)15-5-7-21-18(13-15)23-11-9-22(2)10-12-23/h3-8,13H,9-12H2,1-2H3
InChIKeyGWUXNUUXWIGUGU-UHFFFAOYSA-N
XLogP3.22
TPSA24.30 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500324.40
LogP ≤ 53.22
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Related Compounds

4-fluoro-7-methyl-1-[3-[(4-methylpiperazin-1-yl)methyl]phenyl]indole
CID 170158402
1-cyclopropyl-4-[3-(4-fluoro-7-methylindol-1-yl)phenyl]piperazin-2-one
CID 175896358
1-[6-fluoro-4-[2-(4-fluorophenyl)imidazol-1-yl]-2-pyridinyl]-4-methylpiperazine
CID 91162996
3-[1-[3-(4-fluoro-7-methylindol-1-yl)phenyl]piperidin-4-yl]propan-1-amine
CID 170159411
2-(4-methylpiperazin-1-yl)pyridine-4-carboxylic acid
CID 6484238
1-(4-bromo-2-pyridinyl)-4-methyl-1,4-diazepane
CID 118140327
1-methyl-4-(4-propyl-2-pyridinyl)piperazine
CID 145392081
1-[(1,4-dimethylpiperidin-4-yl)methyl]-4-(4-methyl-2-pyridinyl)piperazine
CID 50985482
N-tert-butyl-2-(4-methylpiperazin-1-yl)pyridin-4-amine
CID 58709836
1-[(4-chlorophenyl)methyl]-2-methyl-3-[[2-(4-methylpiperazin-1-yl)-4-pyridinyl]methyl]guanidine;hydroiodide
CID 111130931
2-methyl-4-[2-(4-methylpiperazin-1-yl)-4-pyridinyl]-6-[4-(trifluoromethoxy)phenyl]-4,6-diazaspiro[2.4]heptane-5,7-dione
CID 161346895
5-(2,5-dimethylphenoxy)-N-[[2-(4-methylpiperazin-1-yl)-4-pyridinyl]methyl]pentanamide
CID 47925567

Frequently Asked Questions

What is the IUPAC name of 4-fluoro-7-methyl-1-[2-(4-methylpiperazin-1-yl)-4-pyridinyl]indole?
The IUPAC name of 4-fluoro-7-methyl-1-[2-(4-methylpiperazin-1-yl)-4-pyridinyl]indole (CID 170159037) is 4-fluoro-7-methyl-1-[2-(4-methylpiperazin-1-yl)-4-pyridinyl]indole.
What is the SMILES notation for 4-fluoro-7-methyl-1-[2-(4-methylpiperazin-1-yl)-4-pyridinyl]indole?
The canonical SMILES for 4-fluoro-7-methyl-1-[2-(4-methylpiperazin-1-yl)-4-pyridinyl]indole is Cc1ccc(F)c2ccn(-c3ccnc(N4CCN(C)CC4)c3)c12.
What is the InChIKey of 4-fluoro-7-methyl-1-[2-(4-methylpiperazin-1-yl)-4-pyridinyl]indole?
The InChIKey is GWUXNUUXWIGUGU-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H21FN4/c1-14-3-4-17(20)16-6-8-24(19(14)16)15-5-7-21-18(13-15)23-11-9-22(2)10-12-23/h3-8,13H,9-12H2,1-2H3.
What are the key properties of 4-fluoro-7-methyl-1-[2-(4-methylpiperazin-1-yl)-4-pyridinyl]indole?
4-fluoro-7-methyl-1-[2-(4-methylpiperazin-1-yl)-4-pyridinyl]indole has a molecular weight of 324.40 g/mol, XLogP of 3.22, 2 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-fluoro-7-methyl-1-[2-(4-methylpiperazin-1-yl)-4-pyridinyl]indole is sourced from PubChem (CID 170159037), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).