1-[4-[4-(2-fluorophenyl)piperazin-1-yl]-6-methylpyrimidin-2-yl]-2,3-dihydroindole

C23H24FN5 — CID 112923655

IUPAC1-[4-[4-(2-fluorophenyl)piperazin-1-yl]-6-methylpyrimidin-2-yl]-2,3-dihydroindole
SMILESCc1cc(N2CCN(c3ccccc3F)CC2)nc(N2CCc3ccccc32)n1
InChIInChI=1S/C23H24FN5/c1-17-16-22(26-23(25-17)29-11-10-18-6-2-4-8-20(18)29)28-14-12-27(13-15-28)21-9-5-3-7-19(21)24/h2-9,16H,10-15H2,1H3
InChIKeyRIOWACSBCKLMNZ-UHFFFAOYSA-N
MW389.48 g/mol
LogP3.94
Rot. Bonds3

About 1-[4-[4-(2-fluorophenyl)piperazin-1-yl]-6-methylpyrimidin-2-yl]-2,3-dihydroindole

1-[4-[4-(2-fluorophenyl)piperazin-1-yl]-6-methylpyrimidin-2-yl]-2,3-dihydroindole (PubChem CID 112923655) has the molecular formula C23H24FN5 and a molecular weight of 389.48 g/mol. Its IUPAC name is 1-[4-[4-(2-fluorophenyl)piperazin-1-yl]-6-methylpyrimidin-2-yl]-2,3-dihydroindole.

Molecular Properties

Compound Name1-[4-[4-(2-fluorophenyl)piperazin-1-yl]-6-methylpyrimidin-2-yl]-2,3-dihydroindole
PubChem CID112923655
Molecular FormulaC23H24FN5
Molecular Weight389.48 g/mol
Exact Mass389.20
IUPAC Name1-[4-[4-(2-fluorophenyl)piperazin-1-yl]-6-methylpyrimidin-2-yl]-2,3-dihydroindole
SMILESCc1cc(N2CCN(c3ccccc3F)CC2)nc(N2CCc3ccccc32)n1
InChIInChI=1S/C23H24FN5/c1-17-16-22(26-23(25-17)29-11-10-18-6-2-4-8-20(18)29)28-14-12-27(13-15-28)21-9-5-3-7-19(21)24/h2-9,16H,10-15H2,1H3
InChIKeyRIOWACSBCKLMNZ-UHFFFAOYSA-N
XLogP3.94
TPSA35.50 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500389.48
LogP ≤ 53.94
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Related Compounds

Revaprazan
CID 204104
4-(4-Methyl-1-piperazinyl)-2-phenylquinazoline
CID 454717
Revaprazan Hydrochloride
CID 204103
N~2~-benzyl-N~4~-(3-fluorophenyl)-6-methyl-2,4-pyrimidinediamine
CID 697239
N-benzyl-4-methyl-6-piperidin-1-ylpyrimidin-2-amine
CID 950649
1[2(3Fluorophenyl)5H,6H,7H,8Hpyrazolo[3,2b]quinazolin9yl]piperazine (Inh 6)
CID 1441765
4-(4-Methylpiperazin-1-yl)-6-phenylpyrimidin-2-amine
CID 25129523
2-(4-Methylpiperazin-1-yl)quinazolin-4-amine
CID 1403136
2-methyl-4-piperidin-1-yl-6-(3,4,5-trifluorophenyl)-5H-pyrrolo[3,2-d]pyrimidine
CID 10596106
6-(4-Fluoro-phenyl)-2-methyl-4-piperidin-1-yl-5H-pyrrolo[3,2-d]pyrimidine
CID 10712643
6-(3,4-difluorophenyl)-2-methyl-4-piperidin-1-yl-5H-pyrrolo[3,2-d]pyrimidine
CID 10737532
6-(3-Fluoro-phenyl)-2-methyl-4-piperidin-1-yl-5H-pyrrolo[3,2-d]pyrimidine
CID 10783815

Frequently Asked Questions

What is the IUPAC name of 1-[4-[4-(2-fluorophenyl)piperazin-1-yl]-6-methylpyrimidin-2-yl]-2,3-dihydroindole?
The IUPAC name of 1-[4-[4-(2-fluorophenyl)piperazin-1-yl]-6-methylpyrimidin-2-yl]-2,3-dihydroindole (CID 112923655) is 1-[4-[4-(2-fluorophenyl)piperazin-1-yl]-6-methylpyrimidin-2-yl]-2,3-dihydroindole.
What is the SMILES notation for 1-[4-[4-(2-fluorophenyl)piperazin-1-yl]-6-methylpyrimidin-2-yl]-2,3-dihydroindole?
The canonical SMILES for 1-[4-[4-(2-fluorophenyl)piperazin-1-yl]-6-methylpyrimidin-2-yl]-2,3-dihydroindole is Cc1cc(N2CCN(c3ccccc3F)CC2)nc(N2CCc3ccccc32)n1.
What is the InChIKey of 1-[4-[4-(2-fluorophenyl)piperazin-1-yl]-6-methylpyrimidin-2-yl]-2,3-dihydroindole?
The InChIKey is RIOWACSBCKLMNZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H24FN5/c1-17-16-22(26-23(25-17)29-11-10-18-6-2-4-8-20(18)29)28-14-12-27(13-15-28)21-9-5-3-7-19(21)24/h2-9,16H,10-15H2,1H3.
What are the key properties of 1-[4-[4-(2-fluorophenyl)piperazin-1-yl]-6-methylpyrimidin-2-yl]-2,3-dihydroindole?
1-[4-[4-(2-fluorophenyl)piperazin-1-yl]-6-methylpyrimidin-2-yl]-2,3-dihydroindole has a molecular weight of 389.48 g/mol, XLogP of 3.94, 3 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[4-[4-(2-fluorophenyl)piperazin-1-yl]-6-methylpyrimidin-2-yl]-2,3-dihydroindole is sourced from PubChem (CID 112923655), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).