4-[4-(4-fluorophenyl)piperazin-1-yl]-5H-pyrimido[5,4-b]indole;hydrochloride

C20H19ClFN5 — CID 139771280

IUPAC4-[4-(4-fluorophenyl)piperazin-1-yl]-5H-pyrimido[5,4-b]indole;hydrochloride
SMILESCl.Fc1ccc(N2CCN(c3ncnc4c3[nH]c3ccccc34)CC2)cc1
InChIInChI=1S/C20H18FN5.ClH/c21-14-5-7-15(8-6-14)25-9-11-26(12-10-25)20-19-18(22-13-23-20)16-3-1-2-4-17(16)24-19;/h1-8,13,24H,9-12H2;1H
InChIKeySGGBSDPXDSEFTO-UHFFFAOYSA-N
MW383.86 g/mol
LogP4.00
Rot. Bonds2

About 4-[4-(4-fluorophenyl)piperazin-1-yl]-5H-pyrimido[5,4-b]indole;hydrochloride

4-[4-(4-fluorophenyl)piperazin-1-yl]-5H-pyrimido[5,4-b]indole;hydrochloride (PubChem CID 139771280) has the molecular formula C20H19ClFN5 and a molecular weight of 383.86 g/mol. Its IUPAC name is 4-[4-(4-fluorophenyl)piperazin-1-yl]-5H-pyrimido[5,4-b]indole;hydrochloride.

Molecular Properties

Compound Name4-[4-(4-fluorophenyl)piperazin-1-yl]-5H-pyrimido[5,4-b]indole;hydrochloride
PubChem CID139771280
Molecular FormulaC20H19ClFN5
Molecular Weight383.86 g/mol
Exact Mass383.13
IUPAC Name4-[4-(4-fluorophenyl)piperazin-1-yl]-5H-pyrimido[5,4-b]indole;hydrochloride
SMILESCl.Fc1ccc(N2CCN(c3ncnc4c3[nH]c3ccccc34)CC2)cc1
InChIInChI=1S/C20H18FN5.ClH/c21-14-5-7-15(8-6-14)25-9-11-26(12-10-25)20-19-18(22-13-23-20)16-3-1-2-4-17(16)24-19;/h1-8,13,24H,9-12H2;1H
InChIKeySGGBSDPXDSEFTO-UHFFFAOYSA-N
XLogP4.00
TPSA48.05 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500383.86
LogP ≤ 54.00
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

4-[4-(4-chlorophenyl)piperazin-1-yl]-5H-pyrimido[5,4-b]indole;hydrochloride
CID 139771273
4-[4-[3-(trifluoromethyl)phenyl]piperazin-1-yl]-5H-pyrimido[5,4-b]indole;hydrochloride
CID 139771276
4-[4-(4-fluorophenyl)piperazin-1-yl]-9-methyl-5H-pyrimido[5,4-b]indole
CID 3658725
9-chloro-4-[4-(4-fluorophenyl)piperazin-1-yl]-5H-pyrimido[5,4-b]indole
CID 2045174
4-[(3R,5R)-3,5-dimethylpiperidin-1-yl]-5H-pyrimido[5,4-b]indole
CID 930329
8-fluoro-4-(4-methylpiperazin-4-ium-1-yl)-5H-pyrimido[5,4-b]indole
CID 6956988
8-chloro-4-[4-(2-fluorophenyl)piperazin-1-yl]-5H-pyrimido[5,4-b]indole
CID 3798373
6-[4-(4-fluorophenyl)piperazin-1-yl]pyrimidine-4,5-diamine
CID 19137206
7-methyl-4-(4-pyridin-2-ylpiperazin-1-yl)-5H-pyrimido[5,4-b]indole
CID 942625
4-[4-(3-methoxyphenyl)piperazin-1-yl]-8-methyl-5H-pyrimido[5,4-b]indole
CID 3851961
4-[4-(4-fluorophenyl)piperazin-1-yl]-6-methyl-7H-pyrrolo[2,3-d]pyrimidine
CID 110430797
8-fluoro-4-[(3S)-4-(3-methoxyphenyl)-3-methylpiperazin-1-yl]-5H-pyrimido[5,4-b]indole
CID 6582356

Frequently Asked Questions

What is the IUPAC name of 4-[4-(4-fluorophenyl)piperazin-1-yl]-5H-pyrimido[5,4-b]indole;hydrochloride?
The IUPAC name of 4-[4-(4-fluorophenyl)piperazin-1-yl]-5H-pyrimido[5,4-b]indole;hydrochloride (CID 139771280) is 4-[4-(4-fluorophenyl)piperazin-1-yl]-5H-pyrimido[5,4-b]indole;hydrochloride.
What is the SMILES notation for 4-[4-(4-fluorophenyl)piperazin-1-yl]-5H-pyrimido[5,4-b]indole;hydrochloride?
The canonical SMILES for 4-[4-(4-fluorophenyl)piperazin-1-yl]-5H-pyrimido[5,4-b]indole;hydrochloride is Cl.Fc1ccc(N2CCN(c3ncnc4c3[nH]c3ccccc34)CC2)cc1.
What is the InChIKey of 4-[4-(4-fluorophenyl)piperazin-1-yl]-5H-pyrimido[5,4-b]indole;hydrochloride?
The InChIKey is SGGBSDPXDSEFTO-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H18FN5.ClH/c21-14-5-7-15(8-6-14)25-9-11-26(12-10-25)20-19-18(22-13-23-20)16-3-1-2-4-17(16)24-19;/h1-8,13,24H,9-12H2;1H.
What are the key properties of 4-[4-(4-fluorophenyl)piperazin-1-yl]-5H-pyrimido[5,4-b]indole;hydrochloride?
4-[4-(4-fluorophenyl)piperazin-1-yl]-5H-pyrimido[5,4-b]indole;hydrochloride has a molecular weight of 383.86 g/mol, XLogP of 4.00, 2 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[4-(4-fluorophenyl)piperazin-1-yl]-5H-pyrimido[5,4-b]indole;hydrochloride is sourced from PubChem (CID 139771280), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).