4-[2-cyclopentyl-5-(4-fluorophenyl)-3H-pyrrol-4-yl]pyridine;4-(4-fluorophenyl)-2-[4-(2-methylpropyl)phenyl]-1,3-thiazole;4-[5-(4-fluorophenyl)-2-(3-propan-2-yloxyphenyl)-3H-pyrrol-4-yl]pyridine;2-[4-(2-methylpropyl)phenyl]-4-pyridin-4-yl-1,3-thiazole;4-[2-[4-(2-methylpropyl)phenyl]-3H-pyrrol-4-yl]pyridine — IUPAC name, SMILES, InChIKey & properties

Name: 4-[2-cyclopentyl-5-(4-fluorophenyl)-3H-pyrrol-4-yl]pyridine;4-(4-fluorophenyl)-2-[4-(2-methylpropyl)phenyl]-1,3-thiazole;4-[5-(4-fluorophenyl)-2-(3-propan-2-yloxyphenyl)-3H-pyrrol-4-yl]pyridine;2-[4-(2-methylpropyl)phenyl]-4-pyridin-4-yl-1,3-thiazole;4-[2-[4-(2-methylpropyl)phenyl]-3H-pyrrol-4-yl]pyridine — Molecular Data
Creator: MolForge
License: https://creativecommons.org/publicdomain/zero/1.0/

About 4-[2-cyclopentyl-5-(4-fluorophenyl)-3H-pyrrol-4-yl]pyridine;4-(4-fluorophenyl)-2-[4-(2-methylpropyl)phenyl]-1,3-thiazole;4-[5-(4-fluorophenyl)-2-(3-propan-2-yloxyphenyl)-3H-pyrrol-4-yl]pyridine;2-[4-(2-methylpropyl)phenyl]-4-pyridin-4-yl-1,3-thiazole;4-[2-[4-(2-methylpropyl)phenyl]-3H-pyrrol-4-yl]pyridine

4-[2-cyclopentyl-5-(4-fluorophenyl)-3H-pyrrol-4-yl]pyridine;4-(4-fluorophenyl)-2-[4-(2-methylpropyl)phenyl]-1,3-thiazole;4-[5-(4-fluorophenyl)-2-(3-propan-2-yloxyphenyl)-3H-pyrrol-4-yl]pyridine;2-[4-(2-methylpropyl)phenyl]-4-pyridin-4-yl-1,3-thiazole;4-[2-[4-(2-methylpropyl)phenyl]-3H-pyrrol-4-yl]pyridine (PubChem CID 161142597) has the molecular formula C100H96F3N9OS2 and a molecular weight of 1561.06 g/mol. Its IUPAC name is 4-[2-cyclopentyl-5-(4-fluorophenyl)-3H-pyrrol-4-yl]pyridine;4-(4-fluorophenyl)-2-[4-(2-methylpropyl)phenyl]-1,3-thiazole;4-[5-(4-fluorophenyl)-2-(3-propan-2-yloxyphenyl)-3H-pyrrol-4-yl]pyridine;2-[4-(2-methylpropyl)phenyl]-4-pyridin-4-yl-1,3-thiazole;4-[2-[4-(2-methylpropyl)phenyl]-3H-pyrrol-4-yl]pyridine.

Molecular Properties

Compound Name	4-[2-cyclopentyl-5-(4-fluorophenyl)-3H-pyrrol-4-yl]pyridine;4-(4-fluorophenyl)-2-[4-(2-methylpropyl)phenyl]-1,3-thiazole;4-[5-(4-fluorophenyl)-2-(3-propan-2-yloxyphenyl)-3H-pyrrol-4-yl]pyridine;2-[4-(2-methylpropyl)phenyl]-4-pyridin-4-yl-1,3-thiazole;4-[2-[4-(2-methylpropyl)phenyl]-3H-pyrrol-4-yl]pyridine
PubChem CID	161142597
Molecular Formula	C100H96F3N9OS2
Molecular Weight	1561.06 g/mol
Exact Mass	1559.71
IUPAC Name	4-[2-cyclopentyl-5-(4-fluorophenyl)-3H-pyrrol-4-yl]pyridine;4-(4-fluorophenyl)-2-[4-(2-methylpropyl)phenyl]-1,3-thiazole;4-[5-(4-fluorophenyl)-2-(3-propan-2-yloxyphenyl)-3H-pyrrol-4-yl]pyridine;2-[4-(2-methylpropyl)phenyl]-4-pyridin-4-yl-1,3-thiazole;4-[2-[4-(2-methylpropyl)phenyl]-3H-pyrrol-4-yl]pyridine
SMILES	CC(C)Cc1ccc(-c2nc(-c3ccc(F)cc3)cs2)cc1.CC(C)Cc1ccc(-c2nc(-c3ccncc3)cs2)cc1.CC(C)Cc1ccc(C2=NC=C(c3ccncc3)C2)cc1.CC(C)Oc1cccc(C2=NC(c3ccc(F)cc3)=C(c3ccncc3)C2)c1.Fc1ccc(C2=C(c3ccncc3)CC(C3CCCC3)=N2)cc1
InChI	InChI=1S/C24H21FN2O.C20H19FN2.C19H18FNS.C19H20N2.C18H18N2S/c1-16(2)28-21-5-3-4-19(14-21)23-15-22(17-10-12-26-13-11-17)24(27-23)18-6-8-20(25)9-7-18;21-17-7-5-16(6-8-17)20-18(14-9-11-22-12-10-14)13-19(23-20)15-3-1-2-4-15;1-13(2)11-14-3-5-16(6-4-14)19-21-18(12-22-19)15-7-9-17(20)10-8-15;1-14(2)11-15-3-5-17(6-4-15)19-12-18(13-21-19)16-7-9-20-10-8-16;1-13(2)11-14-3-5-16(6-4-14)18-20-17(12-21-18)15-7-9-19-10-8-15/h3-14,16H,15H2,1-2H3;5-12,15H,1-4,13H2;3-10,12-13H,11H2,1-2H3;3-10,13-14H,11-12H2,1-2H3;3-10,12-13H,11H2,1-2H3
InChIKey	UNQIISWAGJNULU-UHFFFAOYSA-N
XLogP	26.29
TPSA	123.65 Å²
H-Bond Donors
H-Bond Acceptors	12
Rotatable Bonds	20
Heavy Atoms	115
Complexity	—

Lipinski Rule of Five

3 violations

Rule	Value
MW ≤ 500	1561.06
LogP ≤ 5	26.29
H-Bond Donors ≤ 5	0
H-Bond Acceptors ≤ 10	12

Analyze 4-[2-cyclopentyl-5-(4-fluorophenyl)-3H-pyrrol-4-yl]pyridine;4-(4-fluorophenyl)-2-[4-(2-methylpropyl)phenyl]-1,3-thiazole;4-[5-(4-fluorophenyl)-2-(3-propan-2-yloxyphenyl)-3H-pyrrol-4-yl]pyridine;2-[4-(2-methylpropyl)phenyl]-4-pyridin-4-yl-1,3-thiazole;4-[2-[4-(2-methylpropyl)phenyl]-3H-pyrrol-4-yl]pyridine with MolForge

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Frequently Asked Questions

What is the IUPAC name of 4-[2-cyclopentyl-5-(4-fluorophenyl)-3H-pyrrol-4-yl]pyridine;4-(4-fluorophenyl)-2-[4-(2-methylpropyl)phenyl]-1,3-thiazole;4-[5-(4-fluorophenyl)-2-(3-propan-2-yloxyphenyl)-3H-pyrrol-4-yl]pyridine;2-[4-(2-methylpropyl)phenyl]-4-pyridin-4-yl-1,3-thiazole;4-[2-[4-(2-methylpropyl)phenyl]-3H-pyrrol-4-yl]pyridine?

The IUPAC name of 4-[2-cyclopentyl-5-(4-fluorophenyl)-3H-pyrrol-4-yl]pyridine;4-(4-fluorophenyl)-2-[4-(2-methylpropyl)phenyl]-1,3-thiazole;4-[5-(4-fluorophenyl)-2-(3-propan-2-yloxyphenyl)-3H-pyrrol-4-yl]pyridine;2-[4-(2-methylpropyl)phenyl]-4-pyridin-4-yl-1,3-thiazole;4-[2-[4-(2-methylpropyl)phenyl]-3H-pyrrol-4-yl]pyridine (CID 161142597) is 4-[2-cyclopentyl-5-(4-fluorophenyl)-3H-pyrrol-4-yl]pyridine;4-(4-fluorophenyl)-2-[4-(2-methylpropyl)phenyl]-1,3-thiazole;4-[5-(4-fluorophenyl)-2-(3-propan-2-yloxyphenyl)-3H-pyrrol-4-yl]pyridine;2-[4-(2-methylpropyl)phenyl]-4-pyridin-4-yl-1,3-thiazole;4-[2-[4-(2-methylpropyl)phenyl]-3H-pyrrol-4-yl]pyridine.

What is the SMILES notation for 4-[2-cyclopentyl-5-(4-fluorophenyl)-3H-pyrrol-4-yl]pyridine;4-(4-fluorophenyl)-2-[4-(2-methylpropyl)phenyl]-1,3-thiazole;4-[5-(4-fluorophenyl)-2-(3-propan-2-yloxyphenyl)-3H-pyrrol-4-yl]pyridine;2-[4-(2-methylpropyl)phenyl]-4-pyridin-4-yl-1,3-thiazole;4-[2-[4-(2-methylpropyl)phenyl]-3H-pyrrol-4-yl]pyridine?

The canonical SMILES for 4-[2-cyclopentyl-5-(4-fluorophenyl)-3H-pyrrol-4-yl]pyridine;4-(4-fluorophenyl)-2-[4-(2-methylpropyl)phenyl]-1,3-thiazole;4-[5-(4-fluorophenyl)-2-(3-propan-2-yloxyphenyl)-3H-pyrrol-4-yl]pyridine;2-[4-(2-methylpropyl)phenyl]-4-pyridin-4-yl-1,3-thiazole;4-[2-[4-(2-methylpropyl)phenyl]-3H-pyrrol-4-yl]pyridine is CC(C)Cc1ccc(-c2nc(-c3ccc(F)cc3)cs2)cc1.CC(C)Cc1ccc(-c2nc(-c3ccncc3)cs2)cc1.CC(C)Cc1ccc(C2=NC=C(c3ccncc3)C2)cc1.CC(C)Oc1cccc(C2=NC(c3ccc(F)cc3)=C(c3ccncc3)C2)c1.Fc1ccc(C2=C(c3ccncc3)CC(C3CCCC3)=N2)cc1.

What is the InChIKey of 4-[2-cyclopentyl-5-(4-fluorophenyl)-3H-pyrrol-4-yl]pyridine;4-(4-fluorophenyl)-2-[4-(2-methylpropyl)phenyl]-1,3-thiazole;4-[5-(4-fluorophenyl)-2-(3-propan-2-yloxyphenyl)-3H-pyrrol-4-yl]pyridine;2-[4-(2-methylpropyl)phenyl]-4-pyridin-4-yl-1,3-thiazole;4-[2-[4-(2-methylpropyl)phenyl]-3H-pyrrol-4-yl]pyridine?

The InChIKey is UNQIISWAGJNULU-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H21FN2O.C20H19FN2.C19H18FNS.C19H20N2.C18H18N2S/c1-16(2)28-21-5-3-4-19(14-21)23-15-22(17-10-12-26-13-11-17)24(27-23)18-6-8-20(25)9-7-18;21-17-7-5-16(6-8-17)20-18(14-9-11-22-12-10-14)13-19(23-20)15-3-1-2-4-15;1-13(2)11-14-3-5-16(6-4-14)19-21-18(12-22-19)15-7-9-17(20)10-8-15;1-14(2)11-15-3-5-17(6-4-15)19-12-18(13-21-19)16-7-9-20-10-8-16;1-13(2)11-14-3-5-16(6-4-14)18-20-17(12-21-18)15-7-9-19-10-8-15/h3-14,16H,15H2,1-2H3;5-12,15H,1-4,13H2;3-10,12-13H,11H2,1-2H3;3-10,13-14H,11-12H2,1-2H3;3-10,12-13H,11H2,1-2H3.

What are the key properties of 4-[2-cyclopentyl-5-(4-fluorophenyl)-3H-pyrrol-4-yl]pyridine;4-(4-fluorophenyl)-2-[4-(2-methylpropyl)phenyl]-1,3-thiazole;4-[5-(4-fluorophenyl)-2-(3-propan-2-yloxyphenyl)-3H-pyrrol-4-yl]pyridine;2-[4-(2-methylpropyl)phenyl]-4-pyridin-4-yl-1,3-thiazole;4-[2-[4-(2-methylpropyl)phenyl]-3H-pyrrol-4-yl]pyridine?

Where does this data come from?

All data for 4-[2-cyclopentyl-5-(4-fluorophenyl)-3H-pyrrol-4-yl]pyridine;4-(4-fluorophenyl)-2-[4-(2-methylpropyl)phenyl]-1,3-thiazole;4-[5-(4-fluorophenyl)-2-(3-propan-2-yloxyphenyl)-3H-pyrrol-4-yl]pyridine;2-[4-(2-methylpropyl)phenyl]-4-pyridin-4-yl-1,3-thiazole;4-[2-[4-(2-methylpropyl)phenyl]-3H-pyrrol-4-yl]pyridine is sourced from PubChem (CID 161142597), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).