2-[[(5S)-2-(4-fluorophenyl)-3-pyridin-4-yl-6,7-dihydro-5H-pyrrolo[1,2-a]imidazol-5-yl]methoxy]quinoline

C27H21FN4O — CID 10137908

IUPAC2-[[(5S)-2-(4-fluorophenyl)-3-pyridin-4-yl-6,7-dihydro-5H-pyrrolo[1,2-a]imidazol-5-yl]methoxy]quinoline
SMILESFc1ccc(-c2nc3n(c2-c2ccncc2)[C@H](COc2ccc4ccccc4n2)CC3)cc1
InChIInChI=1S/C27H21FN4O/c28-21-8-5-19(6-9-21)26-27(20-13-15-29-16-14-20)32-22(10-11-24(32)31-26)17-33-25-12-7-18-3-1-2-4-23(18)30-25/h1-9,12-16,22H,10-11,17H2/t22-/m0/s1
InChIKeyZHXBUMMJBPZOIP-QFIPXVFZSA-N
MW436.49 g/mol
LogP5.87
Rot. Bonds5

About 2-[[(5S)-2-(4-fluorophenyl)-3-pyridin-4-yl-6,7-dihydro-5H-pyrrolo[1,2-a]imidazol-5-yl]methoxy]quinoline

2-[[(5S)-2-(4-fluorophenyl)-3-pyridin-4-yl-6,7-dihydro-5H-pyrrolo[1,2-a]imidazol-5-yl]methoxy]quinoline (PubChem CID 10137908) has the molecular formula C27H21FN4O and a molecular weight of 436.49 g/mol. Its IUPAC name is 2-[[(5S)-2-(4-fluorophenyl)-3-pyridin-4-yl-6,7-dihydro-5H-pyrrolo[1,2-a]imidazol-5-yl]methoxy]quinoline.

Molecular Properties

Compound Name2-[[(5S)-2-(4-fluorophenyl)-3-pyridin-4-yl-6,7-dihydro-5H-pyrrolo[1,2-a]imidazol-5-yl]methoxy]quinoline
PubChem CID10137908
Molecular FormulaC27H21FN4O
Molecular Weight436.49 g/mol
Exact Mass436.17
IUPAC Name2-[[(5S)-2-(4-fluorophenyl)-3-pyridin-4-yl-6,7-dihydro-5H-pyrrolo[1,2-a]imidazol-5-yl]methoxy]quinoline
SMILESFc1ccc(-c2nc3n(c2-c2ccncc2)[C@H](COc2ccc4ccccc4n2)CC3)cc1
InChIInChI=1S/C27H21FN4O/c28-21-8-5-19(6-9-21)26-27(20-13-15-29-16-14-20)32-22(10-11-24(32)31-26)17-33-25-12-7-18-3-1-2-4-23(18)30-25/h1-9,12-16,22H,10-11,17H2/t22-/m0/s1
InChIKeyZHXBUMMJBPZOIP-QFIPXVFZSA-N
XLogP5.87
TPSA52.83 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms33
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500436.49
LogP ≤ 55.87
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 2-[[(5S)-2-(4-fluorophenyl)-3-pyridin-4-yl-6,7-dihydro-5H-pyrrolo[1,2-a]imidazol-5-yl]methoxy]quinoline?
The IUPAC name of 2-[[(5S)-2-(4-fluorophenyl)-3-pyridin-4-yl-6,7-dihydro-5H-pyrrolo[1,2-a]imidazol-5-yl]methoxy]quinoline (CID 10137908) is 2-[[(5S)-2-(4-fluorophenyl)-3-pyridin-4-yl-6,7-dihydro-5H-pyrrolo[1,2-a]imidazol-5-yl]methoxy]quinoline.
What is the SMILES notation for 2-[[(5S)-2-(4-fluorophenyl)-3-pyridin-4-yl-6,7-dihydro-5H-pyrrolo[1,2-a]imidazol-5-yl]methoxy]quinoline?
The canonical SMILES for 2-[[(5S)-2-(4-fluorophenyl)-3-pyridin-4-yl-6,7-dihydro-5H-pyrrolo[1,2-a]imidazol-5-yl]methoxy]quinoline is Fc1ccc(-c2nc3n(c2-c2ccncc2)[C@H](COc2ccc4ccccc4n2)CC3)cc1.
What is the InChIKey of 2-[[(5S)-2-(4-fluorophenyl)-3-pyridin-4-yl-6,7-dihydro-5H-pyrrolo[1,2-a]imidazol-5-yl]methoxy]quinoline?
The InChIKey is ZHXBUMMJBPZOIP-QFIPXVFZSA-N. The full InChI is InChI=1S/C27H21FN4O/c28-21-8-5-19(6-9-21)26-27(20-13-15-29-16-14-20)32-22(10-11-24(32)31-26)17-33-25-12-7-18-3-1-2-4-23(18)30-25/h1-9,12-16,22H,10-11,17H2/t22-/m0/s1.
What are the key properties of 2-[[(5S)-2-(4-fluorophenyl)-3-pyridin-4-yl-6,7-dihydro-5H-pyrrolo[1,2-a]imidazol-5-yl]methoxy]quinoline?
2-[[(5S)-2-(4-fluorophenyl)-3-pyridin-4-yl-6,7-dihydro-5H-pyrrolo[1,2-a]imidazol-5-yl]methoxy]quinoline has a molecular weight of 436.49 g/mol, XLogP of 5.87, 5 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[[(5S)-2-(4-fluorophenyl)-3-pyridin-4-yl-6,7-dihydro-5H-pyrrolo[1,2-a]imidazol-5-yl]methoxy]quinoline is sourced from PubChem (CID 10137908), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).