(R)-(1-fluorocyclopropyl)-[(5S)-8-[2-fluoro-2-[(S)-hydroxy-[(5R)-5H-imidazo[5,1-a]isoindol-5-yl]methyl]cyclopropyl]-5H-imidazo[5,1-a]isoindol-5-yl]methanol

C28H24F2N4O2 — CID 129297018

IUPAC(R)-(1-fluorocyclopropyl)-[(5S)-8-[2-fluoro-2-[(S)-hydroxy-[(5R)-5H-imidazo[5,1-a]isoindol-5-yl]methyl]cyclopropyl]-5H-imidazo[5,1-a]isoindol-5-yl]methanol
SMILESOC([C@H]1c2ccccc2-c2cncn21)C1(F)CC1c1ccc2c(c1)-c1cncn1[C@@H]2[C@@H](O)C1(F)CC1
InChIInChI=1S/C28H24F2N4O2/c29-27(7-8-27)25(35)23-18-6-5-15(9-19(18)22-12-32-14-34(22)23)20-10-28(20,30)26(36)24-17-4-2-1-3-16(17)21-11-31-13-33(21)24/h1-6,9,11-14,20,23-26,35-36H,7-8,10H2/t20?,23-,24+,25+,26?,28?/m0/s1
InChIKeyDBECOSPPDBPABE-LFXILSIKSA-N
MW486.52 g/mol
LogP4.34
Rot. Bonds5

About (R)-(1-fluorocyclopropyl)-[(5S)-8-[2-fluoro-2-[(S)-hydroxy-[(5R)-5H-imidazo[5,1-a]isoindol-5-yl]methyl]cyclopropyl]-5H-imidazo[5,1-a]isoindol-5-yl]methanol

(R)-(1-fluorocyclopropyl)-[(5S)-8-[2-fluoro-2-[(S)-hydroxy-[(5R)-5H-imidazo[5,1-a]isoindol-5-yl]methyl]cyclopropyl]-5H-imidazo[5,1-a]isoindol-5-yl]methanol (PubChem CID 129297018) has the molecular formula C28H24F2N4O2 and a molecular weight of 486.52 g/mol. Its IUPAC name is (R)-(1-fluorocyclopropyl)-[(5S)-8-[2-fluoro-2-[(S)-hydroxy-[(5R)-5H-imidazo[5,1-a]isoindol-5-yl]methyl]cyclopropyl]-5H-imidazo[5,1-a]isoindol-5-yl]methanol.

Molecular Properties

Compound Name(R)-(1-fluorocyclopropyl)-[(5S)-8-[2-fluoro-2-[(S)-hydroxy-[(5R)-5H-imidazo[5,1-a]isoindol-5-yl]methyl]cyclopropyl]-5H-imidazo[5,1-a]isoindol-5-yl]methanol
PubChem CID129297018
Molecular FormulaC28H24F2N4O2
Molecular Weight486.52 g/mol
Exact Mass486.19
IUPAC Name(R)-(1-fluorocyclopropyl)-[(5S)-8-[2-fluoro-2-[(S)-hydroxy-[(5R)-5H-imidazo[5,1-a]isoindol-5-yl]methyl]cyclopropyl]-5H-imidazo[5,1-a]isoindol-5-yl]methanol
SMILESOC([C@H]1c2ccccc2-c2cncn21)C1(F)CC1c1ccc2c(c1)-c1cncn1[C@@H]2[C@@H](O)C1(F)CC1
InChIInChI=1S/C28H24F2N4O2/c29-27(7-8-27)25(35)23-18-6-5-15(9-19(18)22-12-32-14-34(22)23)20-10-28(20,30)26(36)24-17-4-2-1-3-16(17)21-11-31-13-33(21)24/h1-6,9,11-14,20,23-26,35-36H,7-8,10H2/t20?,23-,24+,25+,26?,28?/m0/s1
InChIKeyDBECOSPPDBPABE-LFXILSIKSA-N
XLogP4.34
TPSA76.10 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms36
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500486.52
LogP ≤ 54.34
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

Analyze (R)-(1-fluorocyclopropyl)-[(5S)-8-[2-fluoro-2-[(S)-hydroxy-[(5R)-5H-imidazo[5,1-a]isoindol-5-yl]methyl]cyclopropyl]-5H-imidazo[5,1-a]isoindol-5-yl]methanol with MolForge

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Frequently Asked Questions

What is the IUPAC name of (R)-(1-fluorocyclopropyl)-[(5S)-8-[2-fluoro-2-[(S)-hydroxy-[(5R)-5H-imidazo[5,1-a]isoindol-5-yl]methyl]cyclopropyl]-5H-imidazo[5,1-a]isoindol-5-yl]methanol?
The IUPAC name of (R)-(1-fluorocyclopropyl)-[(5S)-8-[2-fluoro-2-[(S)-hydroxy-[(5R)-5H-imidazo[5,1-a]isoindol-5-yl]methyl]cyclopropyl]-5H-imidazo[5,1-a]isoindol-5-yl]methanol (CID 129297018) is (R)-(1-fluorocyclopropyl)-[(5S)-8-[2-fluoro-2-[(S)-hydroxy-[(5R)-5H-imidazo[5,1-a]isoindol-5-yl]methyl]cyclopropyl]-5H-imidazo[5,1-a]isoindol-5-yl]methanol.
What is the SMILES notation for (R)-(1-fluorocyclopropyl)-[(5S)-8-[2-fluoro-2-[(S)-hydroxy-[(5R)-5H-imidazo[5,1-a]isoindol-5-yl]methyl]cyclopropyl]-5H-imidazo[5,1-a]isoindol-5-yl]methanol?
The canonical SMILES for (R)-(1-fluorocyclopropyl)-[(5S)-8-[2-fluoro-2-[(S)-hydroxy-[(5R)-5H-imidazo[5,1-a]isoindol-5-yl]methyl]cyclopropyl]-5H-imidazo[5,1-a]isoindol-5-yl]methanol is OC([C@H]1c2ccccc2-c2cncn21)C1(F)CC1c1ccc2c(c1)-c1cncn1[C@@H]2[C@@H](O)C1(F)CC1.
What is the InChIKey of (R)-(1-fluorocyclopropyl)-[(5S)-8-[2-fluoro-2-[(S)-hydroxy-[(5R)-5H-imidazo[5,1-a]isoindol-5-yl]methyl]cyclopropyl]-5H-imidazo[5,1-a]isoindol-5-yl]methanol?
The InChIKey is DBECOSPPDBPABE-LFXILSIKSA-N. The full InChI is InChI=1S/C28H24F2N4O2/c29-27(7-8-27)25(35)23-18-6-5-15(9-19(18)22-12-32-14-34(22)23)20-10-28(20,30)26(36)24-17-4-2-1-3-16(17)21-11-31-13-33(21)24/h1-6,9,11-14,20,23-26,35-36H,7-8,10H2/t20?,23-,24+,25+,26?,28?/m0/s1.
What are the key properties of (R)-(1-fluorocyclopropyl)-[(5S)-8-[2-fluoro-2-[(S)-hydroxy-[(5R)-5H-imidazo[5,1-a]isoindol-5-yl]methyl]cyclopropyl]-5H-imidazo[5,1-a]isoindol-5-yl]methanol?
(R)-(1-fluorocyclopropyl)-[(5S)-8-[2-fluoro-2-[(S)-hydroxy-[(5R)-5H-imidazo[5,1-a]isoindol-5-yl]methyl]cyclopropyl]-5H-imidazo[5,1-a]isoindol-5-yl]methanol has a molecular weight of 486.52 g/mol, XLogP of 4.34, 5 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for (R)-(1-fluorocyclopropyl)-[(5S)-8-[2-fluoro-2-[(S)-hydroxy-[(5R)-5H-imidazo[5,1-a]isoindol-5-yl]methyl]cyclopropyl]-5H-imidazo[5,1-a]isoindol-5-yl]methanol is sourced from PubChem (CID 129297018), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).