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

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

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Related Compounds

(2s)-1-{[6-Furan-3-Yl-5-(3-Methyl-2h-Indazol-5-Yl)pyridin-3-Yl]oxy}-3-(1h-Indol-3-Yl)propan-2-Amine
CID 46225540
5-{5-[(S)-2-Amino-3-(1h-Indol-3-Yl)-Propoxyl]-Pyridin-3-Yl}-3-[1-(1h-Pyrrol-2-Yl)-Meth-(Z)-Ylidene]-1,3-Dihydro-Indol-2-One
CID 10310919
(3Z)-5-(5-{[(2S)-2-amino-3-(1H-indol-3-yl)propyl]oxy}pyridin-3-yl)-3-(furan-2-ylmethylidene)-1,3-dihydro-2H-indol-2-one
CID 11751896
(3Z)-5-{5-[(2S)-2-amino-3-(1H-indol-3-yl)propoxy]pyridin-3-yl}-3-[(5-methylfuran-2-yl)methylidene]-2,3-dihydro-1H-indol-2-one
CID 23647568
6-fluoro-3-(1-(2-(7-methoxybenzofuran-3-yl)ethyl)-1,2,3,6-tetrahydropyridin-4-yl)-1H-indole
CID 11486099
3-{4-[4-(2,3-Dihydro-benzofuran-5-yl)-piperazin-1-yl]-butyl}-1H-indole-5-carboxylic acid amide
CID 11750460
3-(1-Benzofuran-3-yl)-4-(5-fluoro-1-methylindol-3-yl)pyrrole-2,5-dione
CID 16741551
(2S)-1-(1H-indol-3-yl)-3-(5-(3-methyl-1H-indazol-5-yl)-6-(2-methylfuran-3-yl)pyridin-3-yloxy)propan-2-amine
CID 46190874
(3Z)-5-{5-[(2S)-2-amino-3-(1H-indol-3-yl)propoxy]pyridin-3-yl}-3-(phenylmethylidene)-2,3-dihydro-1H-indol-2-one
CID 23647557
(3Z)-5-{5-[(2S)-2-amino-3-(1H-indol-3-yl)propoxy]pyridin-3-yl}-3-[(1-methyl-1H-pyrrol-2-yl)methylidene]-2,3-dihydro-1H-indol-2-one
CID 23647562
(3Z)-5-{5-[(2S)-2-amino-3-(1H-indol-3-yl)propoxy]pyridin-3-yl}-3-(1H-pyrrol-3-ylmethylidene)-2,3-dihydro-1H-indol-2-one
CID 23647563
(3Z)-5-{5-[(2S)-2-amino-3-(1H-indol-3-yl)propoxy]pyridin-3-yl}-3-(1H-indol-3-ylmethylidene)-2,3-dihydro-1H-indol-2-one
CID 23647564

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).