5-fluoro-3-[3-[4-(2-methoxy-5-methylpyrimidin-4-yl)piperazin-1-yl]propyl]-1H-indole;dihydrochloride

C21H28Cl2FN5O — CID 22372071

IUPAC5-fluoro-3-[3-[4-(2-methoxy-5-methylpyrimidin-4-yl)piperazin-1-yl]propyl]-1H-indole;dihydrochloride
SMILESCOc1ncc(C)c(N2CCN(CCCc3c[nH]c4ccc(F)cc34)CC2)n1.Cl.Cl
InChIInChI=1S/C21H26FN5O.2ClH/c1-15-13-24-21(28-2)25-20(15)27-10-8-26(9-11-27)7-3-4-16-14-23-19-6-5-17(22)12-18(16)19;;/h5-6,12-14,23H,3-4,7-11H2,1-2H3;2*1H
InChIKeyKSVPYKMTABVXMA-UHFFFAOYSA-N
MW456.39 g/mol
LogP4.01
Rot. Bonds6

About 5-fluoro-3-[3-[4-(2-methoxy-5-methylpyrimidin-4-yl)piperazin-1-yl]propyl]-1H-indole;dihydrochloride

5-fluoro-3-[3-[4-(2-methoxy-5-methylpyrimidin-4-yl)piperazin-1-yl]propyl]-1H-indole;dihydrochloride (PubChem CID 22372071) has the molecular formula C21H28Cl2FN5O and a molecular weight of 456.39 g/mol. Its IUPAC name is 5-fluoro-3-[3-[4-(2-methoxy-5-methylpyrimidin-4-yl)piperazin-1-yl]propyl]-1H-indole;dihydrochloride.

Molecular Properties

Compound Name5-fluoro-3-[3-[4-(2-methoxy-5-methylpyrimidin-4-yl)piperazin-1-yl]propyl]-1H-indole;dihydrochloride
PubChem CID22372071
Molecular FormulaC21H28Cl2FN5O
Molecular Weight456.39 g/mol
Exact Mass455.17
IUPAC Name5-fluoro-3-[3-[4-(2-methoxy-5-methylpyrimidin-4-yl)piperazin-1-yl]propyl]-1H-indole;dihydrochloride
SMILESCOc1ncc(C)c(N2CCN(CCCc3c[nH]c4ccc(F)cc34)CC2)n1.Cl.Cl
InChIInChI=1S/C21H26FN5O.2ClH/c1-15-13-24-21(28-2)25-20(15)27-10-8-26(9-11-27)7-3-4-16-14-23-19-6-5-17(22)12-18(16)19;;/h5-6,12-14,23H,3-4,7-11H2,1-2H3;2*1H
InChIKeyKSVPYKMTABVXMA-UHFFFAOYSA-N
XLogP4.01
TPSA57.28 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500456.39
LogP ≤ 54.01
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Analyze 5-fluoro-3-[3-[4-(2-methoxy-5-methylpyrimidin-4-yl)piperazin-1-yl]propyl]-1H-indole;dihydrochloride with MolForge

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Related Compounds

3-[3-[4-[3-(5-fluoro-1H-indol-3-yl)propyl]piperazin-1-yl]propyl]-5-methoxy-1H-indole
CID 72734844
3-[3-[4-(3-chloro-2-pyridinyl)piperazin-1-yl]propyl]-5-fluoro-1H-indole
CID 90469554
5-fluoro-3-[3-(4-pyridin-2-ylpiperazin-1-yl)propyl]-1H-indole
CID 90469348
5-fluoro-3-[3-[4-[4-(3-methyl-2-pyridinyl)phenyl]piperazin-1-yl]propyl]-1H-indole
CID 141399451
3-[3-[4-(2-ethoxyphenyl)piperazin-1-yl]propyl]-5-fluoro-1H-indole
CID 177378521
3-[3-[4-(5-methoxypyrimidin-4-yl)piperazin-1-yl]propyl]-1H-indol-5-ol
CID 15288320
3-[4-[4-(3-methoxy-2-pyridinyl)piperazin-1-yl]butyl]-1H-indole-5-carbonitrile
CID 90468782
3-[3-[4-(5-methoxypyrimidin-4-yl)piperazin-1-yl]propyl]-5-nitro-1H-indole
CID 19962039
methyl 3-[3-[4-(5-methoxypyrimidin-4-yl)piperazin-1-yl]propyl]-1H-indole-5-carboxylate
CID 15288323
6-[4-[3-(5-fluoro-1H-indol-3-yl)propyl]piperazin-1-yl]-1H-pyridin-2-one
CID 141385793
3-[3-[4-[2-[1-(difluoromethyl)pyrazol-4-yl]-4-fluorophenyl]piperazin-1-yl]propyl]-5-fluoro-1H-indole
CID 155776090
2-[4-[4-[3-(5-fluoro-1H-indol-3-yl)propyl]piperazin-1-yl]phenyl]sulfanylpyrimidine-4-carbonitrile
CID 118499435

Frequently Asked Questions

What is the IUPAC name of 5-fluoro-3-[3-[4-(2-methoxy-5-methylpyrimidin-4-yl)piperazin-1-yl]propyl]-1H-indole;dihydrochloride?
The IUPAC name of 5-fluoro-3-[3-[4-(2-methoxy-5-methylpyrimidin-4-yl)piperazin-1-yl]propyl]-1H-indole;dihydrochloride (CID 22372071) is 5-fluoro-3-[3-[4-(2-methoxy-5-methylpyrimidin-4-yl)piperazin-1-yl]propyl]-1H-indole;dihydrochloride.
What is the SMILES notation for 5-fluoro-3-[3-[4-(2-methoxy-5-methylpyrimidin-4-yl)piperazin-1-yl]propyl]-1H-indole;dihydrochloride?
The canonical SMILES for 5-fluoro-3-[3-[4-(2-methoxy-5-methylpyrimidin-4-yl)piperazin-1-yl]propyl]-1H-indole;dihydrochloride is COc1ncc(C)c(N2CCN(CCCc3c[nH]c4ccc(F)cc34)CC2)n1.Cl.Cl.
What is the InChIKey of 5-fluoro-3-[3-[4-(2-methoxy-5-methylpyrimidin-4-yl)piperazin-1-yl]propyl]-1H-indole;dihydrochloride?
The InChIKey is KSVPYKMTABVXMA-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H26FN5O.2ClH/c1-15-13-24-21(28-2)25-20(15)27-10-8-26(9-11-27)7-3-4-16-14-23-19-6-5-17(22)12-18(16)19;;/h5-6,12-14,23H,3-4,7-11H2,1-2H3;2*1H.
What are the key properties of 5-fluoro-3-[3-[4-(2-methoxy-5-methylpyrimidin-4-yl)piperazin-1-yl]propyl]-1H-indole;dihydrochloride?
5-fluoro-3-[3-[4-(2-methoxy-5-methylpyrimidin-4-yl)piperazin-1-yl]propyl]-1H-indole;dihydrochloride has a molecular weight of 456.39 g/mol, XLogP of 4.01, 6 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 5-fluoro-3-[3-[4-(2-methoxy-5-methylpyrimidin-4-yl)piperazin-1-yl]propyl]-1H-indole;dihydrochloride is sourced from PubChem (CID 22372071), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).