2-[4-(furan-2-yl)-2-pyridin-2-yl-5-thiophen-2-yl-1H-pyrrol-3-yl]pyrimidine

C21H14N4OS — CID 141443750

IUPAC2-[4-(furan-2-yl)-2-pyridin-2-yl-5-thiophen-2-yl-1H-pyrrol-3-yl]pyrimidine
SMILESc1ccc(-c2[nH]c(-c3cccs3)c(-c3ccco3)c2-c2ncccn2)nc1
InChIInChI=1S/C21H14N4OS/c1-2-9-22-14(6-1)19-18(21-23-10-5-11-24-21)17(15-7-3-12-26-15)20(25-19)16-8-4-13-27-16/h1-13,25H
InChIKeyZFGUUNLBTFCDPN-UHFFFAOYSA-N
MW370.44 g/mol
LogP5.52
Rot. Bonds4

About 2-[4-(furan-2-yl)-2-pyridin-2-yl-5-thiophen-2-yl-1H-pyrrol-3-yl]pyrimidine

2-[4-(furan-2-yl)-2-pyridin-2-yl-5-thiophen-2-yl-1H-pyrrol-3-yl]pyrimidine (PubChem CID 141443750) has the molecular formula C21H14N4OS and a molecular weight of 370.44 g/mol. Its IUPAC name is 2-[4-(furan-2-yl)-2-pyridin-2-yl-5-thiophen-2-yl-1H-pyrrol-3-yl]pyrimidine.

Molecular Properties

Compound Name2-[4-(furan-2-yl)-2-pyridin-2-yl-5-thiophen-2-yl-1H-pyrrol-3-yl]pyrimidine
PubChem CID141443750
Molecular FormulaC21H14N4OS
Molecular Weight370.44 g/mol
Exact Mass370.09
IUPAC Name2-[4-(furan-2-yl)-2-pyridin-2-yl-5-thiophen-2-yl-1H-pyrrol-3-yl]pyrimidine
SMILESc1ccc(-c2[nH]c(-c3cccs3)c(-c3ccco3)c2-c2ncccn2)nc1
InChIInChI=1S/C21H14N4OS/c1-2-9-22-14(6-1)19-18(21-23-10-5-11-24-21)17(15-7-3-12-26-15)20(25-19)16-8-4-13-27-16/h1-13,25H
InChIKeyZFGUUNLBTFCDPN-UHFFFAOYSA-N
XLogP5.52
TPSA67.60 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms27
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500370.44
LogP ≤ 55.52
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 2-[4-(furan-2-yl)-2-pyridin-2-yl-5-thiophen-2-yl-1H-pyrrol-3-yl]pyrimidine?
The IUPAC name of 2-[4-(furan-2-yl)-2-pyridin-2-yl-5-thiophen-2-yl-1H-pyrrol-3-yl]pyrimidine (CID 141443750) is 2-[4-(furan-2-yl)-2-pyridin-2-yl-5-thiophen-2-yl-1H-pyrrol-3-yl]pyrimidine.
What is the SMILES notation for 2-[4-(furan-2-yl)-2-pyridin-2-yl-5-thiophen-2-yl-1H-pyrrol-3-yl]pyrimidine?
The canonical SMILES for 2-[4-(furan-2-yl)-2-pyridin-2-yl-5-thiophen-2-yl-1H-pyrrol-3-yl]pyrimidine is c1ccc(-c2[nH]c(-c3cccs3)c(-c3ccco3)c2-c2ncccn2)nc1.
What is the InChIKey of 2-[4-(furan-2-yl)-2-pyridin-2-yl-5-thiophen-2-yl-1H-pyrrol-3-yl]pyrimidine?
The InChIKey is ZFGUUNLBTFCDPN-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H14N4OS/c1-2-9-22-14(6-1)19-18(21-23-10-5-11-24-21)17(15-7-3-12-26-15)20(25-19)16-8-4-13-27-16/h1-13,25H.
What are the key properties of 2-[4-(furan-2-yl)-2-pyridin-2-yl-5-thiophen-2-yl-1H-pyrrol-3-yl]pyrimidine?
2-[4-(furan-2-yl)-2-pyridin-2-yl-5-thiophen-2-yl-1H-pyrrol-3-yl]pyrimidine has a molecular weight of 370.44 g/mol, XLogP of 5.52, 4 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[4-(furan-2-yl)-2-pyridin-2-yl-5-thiophen-2-yl-1H-pyrrol-3-yl]pyrimidine is sourced from PubChem (CID 141443750), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).