fluoromethane;N-[[(5S)-2-(4-fluorophenyl)-3-pyridin-4-yl-6,7-dihydro-5H-pyrrolo[1,2-a]imidazol-5-yl]methyl]-2-methoxy-N-[(3-methoxyphenyl)methyl]ethanamine;methane

C31H38F2N4O2 — CID 142175820

IUPACfluoromethane;N-[[(5S)-2-(4-fluorophenyl)-3-pyridin-4-yl-6,7-dihydro-5H-pyrrolo[1,2-a]imidazol-5-yl]methyl]-2-methoxy-N-[(3-methoxyphenyl)methyl]ethanamine;methane
SMILESC.CF.COCCN(Cc1cccc(OC)c1)C[C@@H]1CCc2nc(-c3ccc(F)cc3)c(-c3ccncc3)n21
InChIInChI=1S/C29H31FN4O2.CH3F.CH4/c1-35-17-16-33(19-21-4-3-5-26(18-21)36-2)20-25-10-11-27-32-28(22-6-8-24(30)9-7-22)29(34(25)27)23-12-14-31-15-13-23;1-2;/h3-9,12-15,18,25H,10-11,16-17,19-20H2,1-2H3;1H3;1H4/t25-;;/m0../s1
InChIKeyHAPPOHIOIXUEQZ-WLOLSGMKSA-N
MW536.67 g/mol
LogP6.62
Rot. Bonds10

About fluoromethane;N-[[(5S)-2-(4-fluorophenyl)-3-pyridin-4-yl-6,7-dihydro-5H-pyrrolo[1,2-a]imidazol-5-yl]methyl]-2-methoxy-N-[(3-methoxyphenyl)methyl]ethanamine;methane

fluoromethane;N-[[(5S)-2-(4-fluorophenyl)-3-pyridin-4-yl-6,7-dihydro-5H-pyrrolo[1,2-a]imidazol-5-yl]methyl]-2-methoxy-N-[(3-methoxyphenyl)methyl]ethanamine;methane (PubChem CID 142175820) has the molecular formula C31H38F2N4O2 and a molecular weight of 536.67 g/mol. Its IUPAC name is fluoromethane;N-[[(5S)-2-(4-fluorophenyl)-3-pyridin-4-yl-6,7-dihydro-5H-pyrrolo[1,2-a]imidazol-5-yl]methyl]-2-methoxy-N-[(3-methoxyphenyl)methyl]ethanamine;methane.

Molecular Properties

Compound Namefluoromethane;N-[[(5S)-2-(4-fluorophenyl)-3-pyridin-4-yl-6,7-dihydro-5H-pyrrolo[1,2-a]imidazol-5-yl]methyl]-2-methoxy-N-[(3-methoxyphenyl)methyl]ethanamine;methane
PubChem CID142175820
Molecular FormulaC31H38F2N4O2
Molecular Weight536.67 g/mol
Exact Mass536.30
IUPAC Namefluoromethane;N-[[(5S)-2-(4-fluorophenyl)-3-pyridin-4-yl-6,7-dihydro-5H-pyrrolo[1,2-a]imidazol-5-yl]methyl]-2-methoxy-N-[(3-methoxyphenyl)methyl]ethanamine;methane
SMILESC.CF.COCCN(Cc1cccc(OC)c1)C[C@@H]1CCc2nc(-c3ccc(F)cc3)c(-c3ccncc3)n21
InChIInChI=1S/C29H31FN4O2.CH3F.CH4/c1-35-17-16-33(19-21-4-3-5-26(18-21)36-2)20-25-10-11-27-32-28(22-6-8-24(30)9-7-22)29(34(25)27)23-12-14-31-15-13-23;1-2;/h3-9,12-15,18,25H,10-11,16-17,19-20H2,1-2H3;1H3;1H4/t25-;;/m0../s1
InChIKeyHAPPOHIOIXUEQZ-WLOLSGMKSA-N
XLogP6.62
TPSA52.41 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds10
Heavy Atoms39
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500536.67
LogP ≤ 56.62
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

Analyze fluoromethane;N-[[(5S)-2-(4-fluorophenyl)-3-pyridin-4-yl-6,7-dihydro-5H-pyrrolo[1,2-a]imidazol-5-yl]methyl]-2-methoxy-N-[(3-methoxyphenyl)methyl]ethanamine;methane with MolForge

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Frequently Asked Questions

What is the IUPAC name of fluoromethane;N-[[(5S)-2-(4-fluorophenyl)-3-pyridin-4-yl-6,7-dihydro-5H-pyrrolo[1,2-a]imidazol-5-yl]methyl]-2-methoxy-N-[(3-methoxyphenyl)methyl]ethanamine;methane?
The IUPAC name of fluoromethane;N-[[(5S)-2-(4-fluorophenyl)-3-pyridin-4-yl-6,7-dihydro-5H-pyrrolo[1,2-a]imidazol-5-yl]methyl]-2-methoxy-N-[(3-methoxyphenyl)methyl]ethanamine;methane (CID 142175820) is fluoromethane;N-[[(5S)-2-(4-fluorophenyl)-3-pyridin-4-yl-6,7-dihydro-5H-pyrrolo[1,2-a]imidazol-5-yl]methyl]-2-methoxy-N-[(3-methoxyphenyl)methyl]ethanamine;methane.
What is the SMILES notation for fluoromethane;N-[[(5S)-2-(4-fluorophenyl)-3-pyridin-4-yl-6,7-dihydro-5H-pyrrolo[1,2-a]imidazol-5-yl]methyl]-2-methoxy-N-[(3-methoxyphenyl)methyl]ethanamine;methane?
The canonical SMILES for fluoromethane;N-[[(5S)-2-(4-fluorophenyl)-3-pyridin-4-yl-6,7-dihydro-5H-pyrrolo[1,2-a]imidazol-5-yl]methyl]-2-methoxy-N-[(3-methoxyphenyl)methyl]ethanamine;methane is C.CF.COCCN(Cc1cccc(OC)c1)C[C@@H]1CCc2nc(-c3ccc(F)cc3)c(-c3ccncc3)n21.
What is the InChIKey of fluoromethane;N-[[(5S)-2-(4-fluorophenyl)-3-pyridin-4-yl-6,7-dihydro-5H-pyrrolo[1,2-a]imidazol-5-yl]methyl]-2-methoxy-N-[(3-methoxyphenyl)methyl]ethanamine;methane?
The InChIKey is HAPPOHIOIXUEQZ-WLOLSGMKSA-N. The full InChI is InChI=1S/C29H31FN4O2.CH3F.CH4/c1-35-17-16-33(19-21-4-3-5-26(18-21)36-2)20-25-10-11-27-32-28(22-6-8-24(30)9-7-22)29(34(25)27)23-12-14-31-15-13-23;1-2;/h3-9,12-15,18,25H,10-11,16-17,19-20H2,1-2H3;1H3;1H4/t25-;;/m0../s1.
What are the key properties of fluoromethane;N-[[(5S)-2-(4-fluorophenyl)-3-pyridin-4-yl-6,7-dihydro-5H-pyrrolo[1,2-a]imidazol-5-yl]methyl]-2-methoxy-N-[(3-methoxyphenyl)methyl]ethanamine;methane?
fluoromethane;N-[[(5S)-2-(4-fluorophenyl)-3-pyridin-4-yl-6,7-dihydro-5H-pyrrolo[1,2-a]imidazol-5-yl]methyl]-2-methoxy-N-[(3-methoxyphenyl)methyl]ethanamine;methane has a molecular weight of 536.67 g/mol, XLogP of 6.62, 10 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for fluoromethane;N-[[(5S)-2-(4-fluorophenyl)-3-pyridin-4-yl-6,7-dihydro-5H-pyrrolo[1,2-a]imidazol-5-yl]methyl]-2-methoxy-N-[(3-methoxyphenyl)methyl]ethanamine;methane is sourced from PubChem (CID 142175820), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).