N-[[3-[4-(6-fluoro-1-benzofuran-7-yl)-1H-pyrrol-3-yl]-1-pyridin-4-ylindol-7-yl]methyl]-1-phenylmethanamine

C33H25FN4O — CID 174465378

IUPACN-[[3-[4-(6-fluoro-1-benzofuran-7-yl)-1H-pyrrol-3-yl]-1-pyridin-4-ylindol-7-yl]methyl]-1-phenylmethanamine
SMILESFc1ccc2ccoc2c1-c1c[nH]cc1-c1cn(-c2ccncc2)c2c(CNCc3ccccc3)cccc12
InChIInChI=1S/C33H25FN4O/c34-30-10-9-23-13-16-39-33(23)31(30)28-20-37-19-27(28)29-21-38(25-11-14-35-15-12-25)32-24(7-4-8-26(29)32)18-36-17-22-5-2-1-3-6-22/h1-16,19-21,36-37H,17-18H2
InChIKeyNATAQPIXZRFMFK-UHFFFAOYSA-N
MW512.59 g/mol
LogP7.86
Rot. Bonds7

About N-[[3-[4-(6-fluoro-1-benzofuran-7-yl)-1H-pyrrol-3-yl]-1-pyridin-4-ylindol-7-yl]methyl]-1-phenylmethanamine

N-[[3-[4-(6-fluoro-1-benzofuran-7-yl)-1H-pyrrol-3-yl]-1-pyridin-4-ylindol-7-yl]methyl]-1-phenylmethanamine (PubChem CID 174465378) has the molecular formula C33H25FN4O and a molecular weight of 512.59 g/mol. Its IUPAC name is N-[[3-[4-(6-fluoro-1-benzofuran-7-yl)-1H-pyrrol-3-yl]-1-pyridin-4-ylindol-7-yl]methyl]-1-phenylmethanamine.

Molecular Properties

Compound NameN-[[3-[4-(6-fluoro-1-benzofuran-7-yl)-1H-pyrrol-3-yl]-1-pyridin-4-ylindol-7-yl]methyl]-1-phenylmethanamine
PubChem CID174465378
Molecular FormulaC33H25FN4O
Molecular Weight512.59 g/mol
Exact Mass512.20
IUPAC NameN-[[3-[4-(6-fluoro-1-benzofuran-7-yl)-1H-pyrrol-3-yl]-1-pyridin-4-ylindol-7-yl]methyl]-1-phenylmethanamine
SMILESFc1ccc2ccoc2c1-c1c[nH]cc1-c1cn(-c2ccncc2)c2c(CNCc3ccccc3)cccc12
InChIInChI=1S/C33H25FN4O/c34-30-10-9-23-13-16-39-33(23)31(30)28-20-37-19-27(28)29-21-38(25-11-14-35-15-12-25)32-24(7-4-8-26(29)32)18-36-17-22-5-2-1-3-6-22/h1-16,19-21,36-37H,17-18H2
InChIKeyNATAQPIXZRFMFK-UHFFFAOYSA-N
XLogP7.86
TPSA58.78 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms39
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500512.59
LogP ≤ 57.86
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of N-[[3-[4-(6-fluoro-1-benzofuran-7-yl)-1H-pyrrol-3-yl]-1-pyridin-4-ylindol-7-yl]methyl]-1-phenylmethanamine?
The IUPAC name of N-[[3-[4-(6-fluoro-1-benzofuran-7-yl)-1H-pyrrol-3-yl]-1-pyridin-4-ylindol-7-yl]methyl]-1-phenylmethanamine (CID 174465378) is N-[[3-[4-(6-fluoro-1-benzofuran-7-yl)-1H-pyrrol-3-yl]-1-pyridin-4-ylindol-7-yl]methyl]-1-phenylmethanamine.
What is the SMILES notation for N-[[3-[4-(6-fluoro-1-benzofuran-7-yl)-1H-pyrrol-3-yl]-1-pyridin-4-ylindol-7-yl]methyl]-1-phenylmethanamine?
The canonical SMILES for N-[[3-[4-(6-fluoro-1-benzofuran-7-yl)-1H-pyrrol-3-yl]-1-pyridin-4-ylindol-7-yl]methyl]-1-phenylmethanamine is Fc1ccc2ccoc2c1-c1c[nH]cc1-c1cn(-c2ccncc2)c2c(CNCc3ccccc3)cccc12.
What is the InChIKey of N-[[3-[4-(6-fluoro-1-benzofuran-7-yl)-1H-pyrrol-3-yl]-1-pyridin-4-ylindol-7-yl]methyl]-1-phenylmethanamine?
The InChIKey is NATAQPIXZRFMFK-UHFFFAOYSA-N. The full InChI is InChI=1S/C33H25FN4O/c34-30-10-9-23-13-16-39-33(23)31(30)28-20-37-19-27(28)29-21-38(25-11-14-35-15-12-25)32-24(7-4-8-26(29)32)18-36-17-22-5-2-1-3-6-22/h1-16,19-21,36-37H,17-18H2.
What are the key properties of N-[[3-[4-(6-fluoro-1-benzofuran-7-yl)-1H-pyrrol-3-yl]-1-pyridin-4-ylindol-7-yl]methyl]-1-phenylmethanamine?
N-[[3-[4-(6-fluoro-1-benzofuran-7-yl)-1H-pyrrol-3-yl]-1-pyridin-4-ylindol-7-yl]methyl]-1-phenylmethanamine has a molecular weight of 512.59 g/mol, XLogP of 7.86, 7 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[[3-[4-(6-fluoro-1-benzofuran-7-yl)-1H-pyrrol-3-yl]-1-pyridin-4-ylindol-7-yl]methyl]-1-phenylmethanamine is sourced from PubChem (CID 174465378), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).