N-[[2-(4-fluorophenyl)-3-pyridin-4-yl-6,7-dihydro-5H-pyrrolo[1,2-a]imidazol-5-yl]methyl]-N-[(3-methoxyphenyl)methyl]propan-1-amine

C29H31FN4O — CID 71132142

IUPACN-[[2-(4-fluorophenyl)-3-pyridin-4-yl-6,7-dihydro-5H-pyrrolo[1,2-a]imidazol-5-yl]methyl]-N-[(3-methoxyphenyl)methyl]propan-1-amine
SMILESCCCN(Cc1cccc(OC)c1)CC1CCc2nc(-c3ccc(F)cc3)c(-c3ccncc3)n21
InChIInChI=1S/C29H31FN4O/c1-3-17-33(19-21-5-4-6-26(18-21)35-2)20-25-11-12-27-32-28(22-7-9-24(30)10-8-22)29(34(25)27)23-13-15-31-16-14-23/h4-10,13-16,18,25H,3,11-12,17,19-20H2,1-2H3
InChIKeyYSPOKPDLFLRDAU-UHFFFAOYSA-N
MW470.59 g/mol
LogP6.16
Rot. Bonds9

About N-[[2-(4-fluorophenyl)-3-pyridin-4-yl-6,7-dihydro-5H-pyrrolo[1,2-a]imidazol-5-yl]methyl]-N-[(3-methoxyphenyl)methyl]propan-1-amine

N-[[2-(4-fluorophenyl)-3-pyridin-4-yl-6,7-dihydro-5H-pyrrolo[1,2-a]imidazol-5-yl]methyl]-N-[(3-methoxyphenyl)methyl]propan-1-amine (PubChem CID 71132142) has the molecular formula C29H31FN4O and a molecular weight of 470.59 g/mol. Its IUPAC name is N-[[2-(4-fluorophenyl)-3-pyridin-4-yl-6,7-dihydro-5H-pyrrolo[1,2-a]imidazol-5-yl]methyl]-N-[(3-methoxyphenyl)methyl]propan-1-amine.

Molecular Properties

Compound NameN-[[2-(4-fluorophenyl)-3-pyridin-4-yl-6,7-dihydro-5H-pyrrolo[1,2-a]imidazol-5-yl]methyl]-N-[(3-methoxyphenyl)methyl]propan-1-amine
PubChem CID71132142
Molecular FormulaC29H31FN4O
Molecular Weight470.59 g/mol
Exact Mass470.25
IUPAC NameN-[[2-(4-fluorophenyl)-3-pyridin-4-yl-6,7-dihydro-5H-pyrrolo[1,2-a]imidazol-5-yl]methyl]-N-[(3-methoxyphenyl)methyl]propan-1-amine
SMILESCCCN(Cc1cccc(OC)c1)CC1CCc2nc(-c3ccc(F)cc3)c(-c3ccncc3)n21
InChIInChI=1S/C29H31FN4O/c1-3-17-33(19-21-5-4-6-26(18-21)35-2)20-25-11-12-27-32-28(22-7-9-24(30)10-8-22)29(34(25)27)23-13-15-31-16-14-23/h4-10,13-16,18,25H,3,11-12,17,19-20H2,1-2H3
InChIKeyYSPOKPDLFLRDAU-UHFFFAOYSA-N
XLogP6.16
TPSA43.18 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds9
Heavy Atoms35
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500470.59
LogP ≤ 56.16
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

Analyze N-[[2-(4-fluorophenyl)-3-pyridin-4-yl-6,7-dihydro-5H-pyrrolo[1,2-a]imidazol-5-yl]methyl]-N-[(3-methoxyphenyl)methyl]propan-1-amine with MolForge

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Frequently Asked Questions

What is the IUPAC name of N-[[2-(4-fluorophenyl)-3-pyridin-4-yl-6,7-dihydro-5H-pyrrolo[1,2-a]imidazol-5-yl]methyl]-N-[(3-methoxyphenyl)methyl]propan-1-amine?
The IUPAC name of N-[[2-(4-fluorophenyl)-3-pyridin-4-yl-6,7-dihydro-5H-pyrrolo[1,2-a]imidazol-5-yl]methyl]-N-[(3-methoxyphenyl)methyl]propan-1-amine (CID 71132142) is N-[[2-(4-fluorophenyl)-3-pyridin-4-yl-6,7-dihydro-5H-pyrrolo[1,2-a]imidazol-5-yl]methyl]-N-[(3-methoxyphenyl)methyl]propan-1-amine.
What is the SMILES notation for N-[[2-(4-fluorophenyl)-3-pyridin-4-yl-6,7-dihydro-5H-pyrrolo[1,2-a]imidazol-5-yl]methyl]-N-[(3-methoxyphenyl)methyl]propan-1-amine?
The canonical SMILES for N-[[2-(4-fluorophenyl)-3-pyridin-4-yl-6,7-dihydro-5H-pyrrolo[1,2-a]imidazol-5-yl]methyl]-N-[(3-methoxyphenyl)methyl]propan-1-amine is CCCN(Cc1cccc(OC)c1)CC1CCc2nc(-c3ccc(F)cc3)c(-c3ccncc3)n21.
What is the InChIKey of N-[[2-(4-fluorophenyl)-3-pyridin-4-yl-6,7-dihydro-5H-pyrrolo[1,2-a]imidazol-5-yl]methyl]-N-[(3-methoxyphenyl)methyl]propan-1-amine?
The InChIKey is YSPOKPDLFLRDAU-UHFFFAOYSA-N. The full InChI is InChI=1S/C29H31FN4O/c1-3-17-33(19-21-5-4-6-26(18-21)35-2)20-25-11-12-27-32-28(22-7-9-24(30)10-8-22)29(34(25)27)23-13-15-31-16-14-23/h4-10,13-16,18,25H,3,11-12,17,19-20H2,1-2H3.
What are the key properties of N-[[2-(4-fluorophenyl)-3-pyridin-4-yl-6,7-dihydro-5H-pyrrolo[1,2-a]imidazol-5-yl]methyl]-N-[(3-methoxyphenyl)methyl]propan-1-amine?
N-[[2-(4-fluorophenyl)-3-pyridin-4-yl-6,7-dihydro-5H-pyrrolo[1,2-a]imidazol-5-yl]methyl]-N-[(3-methoxyphenyl)methyl]propan-1-amine has a molecular weight of 470.59 g/mol, XLogP of 6.16, 9 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[[2-(4-fluorophenyl)-3-pyridin-4-yl-6,7-dihydro-5H-pyrrolo[1,2-a]imidazol-5-yl]methyl]-N-[(3-methoxyphenyl)methyl]propan-1-amine is sourced from PubChem (CID 71132142), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).