2-[3-[4-[1-(4-fluorophenyl)imidazo[1,5-a]pyridin-3-yl]piperidin-1-yl]propyl]-4,5,6,7-tetrahydroisoindole-1,3-diol

C29H33FN4O2 — CID 91417332

IUPAC2-[3-[4-[1-(4-fluorophenyl)imidazo[1,5-a]pyridin-3-yl]piperidin-1-yl]propyl]-4,5,6,7-tetrahydroisoindole-1,3-diol
SMILESOc1c2c(c(O)n1CCCN1CCC(c3nc(-c4ccc(F)cc4)c4ccccn34)CC1)CCCC2
InChIInChI=1S/C29H33FN4O2/c30-22-11-9-20(10-12-22)26-25-8-3-4-16-33(25)27(31-26)21-13-18-32(19-14-21)15-5-17-34-28(35)23-6-1-2-7-24(23)29(34)36/h3-4,8-12,16,21,35-36H,1-2,5-7,13-15,17-19H2
InChIKeyFXNVWMZLZWRFJK-UHFFFAOYSA-N
MW488.61 g/mol
LogP5.50
Rot. Bonds6

About 2-[3-[4-[1-(4-fluorophenyl)imidazo[1,5-a]pyridin-3-yl]piperidin-1-yl]propyl]-4,5,6,7-tetrahydroisoindole-1,3-diol

2-[3-[4-[1-(4-fluorophenyl)imidazo[1,5-a]pyridin-3-yl]piperidin-1-yl]propyl]-4,5,6,7-tetrahydroisoindole-1,3-diol (PubChem CID 91417332) has the molecular formula C29H33FN4O2 and a molecular weight of 488.61 g/mol. Its IUPAC name is 2-[3-[4-[1-(4-fluorophenyl)imidazo[1,5-a]pyridin-3-yl]piperidin-1-yl]propyl]-4,5,6,7-tetrahydroisoindole-1,3-diol.

Molecular Properties

Compound Name2-[3-[4-[1-(4-fluorophenyl)imidazo[1,5-a]pyridin-3-yl]piperidin-1-yl]propyl]-4,5,6,7-tetrahydroisoindole-1,3-diol
PubChem CID91417332
Molecular FormulaC29H33FN4O2
Molecular Weight488.61 g/mol
Exact Mass488.26
IUPAC Name2-[3-[4-[1-(4-fluorophenyl)imidazo[1,5-a]pyridin-3-yl]piperidin-1-yl]propyl]-4,5,6,7-tetrahydroisoindole-1,3-diol
SMILESOc1c2c(c(O)n1CCCN1CCC(c3nc(-c4ccc(F)cc4)c4ccccn34)CC1)CCCC2
InChIInChI=1S/C29H33FN4O2/c30-22-11-9-20(10-12-22)26-25-8-3-4-16-33(25)27(31-26)21-13-18-32(19-14-21)15-5-17-34-28(35)23-6-1-2-7-24(23)29(34)36/h3-4,8-12,16,21,35-36H,1-2,5-7,13-15,17-19H2
InChIKeyFXNVWMZLZWRFJK-UHFFFAOYSA-N
XLogP5.50
TPSA65.93 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds6
Heavy Atoms36
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500488.61
LogP ≤ 55.50
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

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Related Compounds

3,5-Difluoro-4-[2-[4-fluoro-3-(trifluoromethyl)phenyl]-8-propan-2-ylpurin-9-yl]phenol
CID 135227303
4-(3-ethenyl-6,8-dihydro-5H-imidazo[1,5-a]pyrazin-7-yl)-6-fluoro-7-(2-fluoro-6-hydroxyphenyl)-1-(4-methyl-2-propan-2-yl-3-pyridinyl)pyrido[2,3-d]pyrimidin-2-one
CID 163795638
1-(cyclopropylmethyl)-4-(3-ethenyl-6,8-dihydro-5H-imidazo[1,5-a]pyrazin-7-yl)-6-fluoro-7-(2-fluoro-6-hydroxyphenyl)pyrido[2,3-d]pyrimidin-2-one
CID 163839350
2,6-Difluoro-4-[[9-(4-phenylphenyl)purin-2-yl]amino]phenol
CID 164616659
2-allyl-6-{(E)-[(2-phenylimidazo[1,2-a]pyridin-8-yl)imino]methyl}phenol
CID 5179799
4-[4-[(2-Phenylimidazo[1,2-a]pyridin-3-yl)methyl]piperazin-1-yl]phenol
CID 9292383
1-[4-[2-[(4-Fluorophenyl)methyl]imidazo[4,5-b]pyridin-3-yl]piperidin-1-yl]-3-(4-hydroxyphenyl)-2-phenylpropan-1-one
CID 45252427
2,6-Difluoro-4-[2-methyl-1-(1-methylpiperidin-4-yl)imidazo[4,5-c]quinolin-8-yl]phenol
CID 168269366
2-Fluoro-4-[2-methyl-1-(1-methylpiperidin-4-yl)imidazo[4,5-c]quinolin-8-yl]phenol
CID 168275450
3-Fluoro-4-[2-methyl-1-(1-methylpiperidin-4-yl)imidazo[4,5-c]quinolin-8-yl]phenol
CID 168295195
3-[6-[4-(4-Methyl-piperazin-1-yl)phenyl]imidazo [1,2-a]pyrazin-3-yl]phenol
CID 117769434
3-[6-[6-(4-Methylpiperazin-1-yl)-3-pyridyl]imidazo [1,2-a]pyrazin-3-yl]phenol
CID 126672869

Frequently Asked Questions

What is the IUPAC name of 2-[3-[4-[1-(4-fluorophenyl)imidazo[1,5-a]pyridin-3-yl]piperidin-1-yl]propyl]-4,5,6,7-tetrahydroisoindole-1,3-diol?
The IUPAC name of 2-[3-[4-[1-(4-fluorophenyl)imidazo[1,5-a]pyridin-3-yl]piperidin-1-yl]propyl]-4,5,6,7-tetrahydroisoindole-1,3-diol (CID 91417332) is 2-[3-[4-[1-(4-fluorophenyl)imidazo[1,5-a]pyridin-3-yl]piperidin-1-yl]propyl]-4,5,6,7-tetrahydroisoindole-1,3-diol.
What is the SMILES notation for 2-[3-[4-[1-(4-fluorophenyl)imidazo[1,5-a]pyridin-3-yl]piperidin-1-yl]propyl]-4,5,6,7-tetrahydroisoindole-1,3-diol?
The canonical SMILES for 2-[3-[4-[1-(4-fluorophenyl)imidazo[1,5-a]pyridin-3-yl]piperidin-1-yl]propyl]-4,5,6,7-tetrahydroisoindole-1,3-diol is Oc1c2c(c(O)n1CCCN1CCC(c3nc(-c4ccc(F)cc4)c4ccccn34)CC1)CCCC2.
What is the InChIKey of 2-[3-[4-[1-(4-fluorophenyl)imidazo[1,5-a]pyridin-3-yl]piperidin-1-yl]propyl]-4,5,6,7-tetrahydroisoindole-1,3-diol?
The InChIKey is FXNVWMZLZWRFJK-UHFFFAOYSA-N. The full InChI is InChI=1S/C29H33FN4O2/c30-22-11-9-20(10-12-22)26-25-8-3-4-16-33(25)27(31-26)21-13-18-32(19-14-21)15-5-17-34-28(35)23-6-1-2-7-24(23)29(34)36/h3-4,8-12,16,21,35-36H,1-2,5-7,13-15,17-19H2.
What are the key properties of 2-[3-[4-[1-(4-fluorophenyl)imidazo[1,5-a]pyridin-3-yl]piperidin-1-yl]propyl]-4,5,6,7-tetrahydroisoindole-1,3-diol?
2-[3-[4-[1-(4-fluorophenyl)imidazo[1,5-a]pyridin-3-yl]piperidin-1-yl]propyl]-4,5,6,7-tetrahydroisoindole-1,3-diol has a molecular weight of 488.61 g/mol, XLogP of 5.50, 6 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[3-[4-[1-(4-fluorophenyl)imidazo[1,5-a]pyridin-3-yl]piperidin-1-yl]propyl]-4,5,6,7-tetrahydroisoindole-1,3-diol is sourced from PubChem (CID 91417332), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).