4-(furan-2-yl)-2-pyridin-2-yl-5-(1H-pyrrol-2-yl)-3-thiophen-2-yl-1H-indole

C25H17N3OS — CID 141055418

IUPAC4-(furan-2-yl)-2-pyridin-2-yl-5-(1H-pyrrol-2-yl)-3-thiophen-2-yl-1H-indole
SMILESc1ccc(-c2[nH]c3ccc(-c4ccc[nH]4)c(-c4ccco4)c3c2-c2cccs2)nc1
InChIInChI=1S/C25H17N3OS/c1-2-12-27-19(6-1)25-24(21-9-5-15-30-21)23-18(28-25)11-10-16(17-7-3-13-26-17)22(23)20-8-4-14-29-20/h1-15,26,28H
InChIKeyCMKCHFPXVFIJDY-UHFFFAOYSA-N
MW407.50 g/mol
LogP7.21
Rot. Bonds4

About 4-(furan-2-yl)-2-pyridin-2-yl-5-(1H-pyrrol-2-yl)-3-thiophen-2-yl-1H-indole

4-(furan-2-yl)-2-pyridin-2-yl-5-(1H-pyrrol-2-yl)-3-thiophen-2-yl-1H-indole (PubChem CID 141055418) has the molecular formula C25H17N3OS and a molecular weight of 407.50 g/mol. Its IUPAC name is 4-(furan-2-yl)-2-pyridin-2-yl-5-(1H-pyrrol-2-yl)-3-thiophen-2-yl-1H-indole.

Molecular Properties

Compound Name4-(furan-2-yl)-2-pyridin-2-yl-5-(1H-pyrrol-2-yl)-3-thiophen-2-yl-1H-indole
PubChem CID141055418
Molecular FormulaC25H17N3OS
Molecular Weight407.50 g/mol
Exact Mass407.11
IUPAC Name4-(furan-2-yl)-2-pyridin-2-yl-5-(1H-pyrrol-2-yl)-3-thiophen-2-yl-1H-indole
SMILESc1ccc(-c2[nH]c3ccc(-c4ccc[nH]4)c(-c4ccco4)c3c2-c2cccs2)nc1
InChIInChI=1S/C25H17N3OS/c1-2-12-27-19(6-1)25-24(21-9-5-15-30-21)23-18(28-25)11-10-16(17-7-3-13-26-17)22(23)20-8-4-14-29-20/h1-15,26,28H
InChIKeyCMKCHFPXVFIJDY-UHFFFAOYSA-N
XLogP7.21
TPSA57.61 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms30
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500407.50
LogP ≤ 57.21
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Analyze 4-(furan-2-yl)-2-pyridin-2-yl-5-(1H-pyrrol-2-yl)-3-thiophen-2-yl-1H-indole with MolForge

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Related Compounds

(3Z)-5-{5-[(2S)-2-amino-3-(1H-indol-3-yl)propoxy]pyridin-3-yl}-3-(thiophen-2-ylmethylidene)-2,3-dihydro-1H-indol-2-one
CID 23647567
5-(5-((S)-2-amino-3-(1H-indol-3-yl)propoxy)pyridin-3-yl)-3-(thiophen-2-yl)indolin-2-one
CID 45482466
3-[furan-2-yl(1H-indol-3-yl)methyl]-1H-indole
CID 11370382
5-[(E)-1-[5-[2-fluoro-4-[4-(furan-3-yl)-2-methyl-3-[(1E,3E)-2-(1H-pyrrol-3-yl)penta-1,3-dienyl]pyrrol-1-yl]phenyl]-3-pyridinyl]prop-1-enyl]-1,3-thiazole
CID 163991025
3-(5-fluoro-1H-indol-3-yl)-1-(furan-2-ylmethyl)-2-oxothieno[2,3-b][1,4]thiazine-6-carboxamide
CID 176235094
N-methyl-3-[3-(2-methylfuran-3-yl)sulfanyl-2-oxo-1H-indol-3-yl]-1H-indole-5-carboxamide
CID 176432467
2-[3-(furan-2-ylcarbonyl)-1H-indol-1-yl]-N-(thiophen-2-ylmethyl)acetamide
CID 1091506
(2Z)-3-(2-furyl)-N-(2-indol-3-ylethyl)-2-(2-thienylcarbonylamino)prop-2-enamid e
CID 1593404
N-(furan-2-ylmethyl)-3-(1H-indol-3-yl)-N-(thiophen-2-ylmethyl)propanamide
CID 4882423
N-[(1E)-1-(furan-2-yl)-3-{[2-(1H-indol-3-yl)ethyl]amino}-3-oxoprop-1-en-2-yl]thiophene-2-carboxamide
CID 5732948
(2-Furan-3-yl-thieno[3,2-b]pyridin-7-yl)-(2-methyl-1H-indol-5-yl)-amine
CID 18382869
3-[4-[4-(1-benzofuran-5-yl)piperazin-1-yl]butyl]-5-(methoxymethyl)-1H-indole
CID 19438906

Frequently Asked Questions

What is the IUPAC name of 4-(furan-2-yl)-2-pyridin-2-yl-5-(1H-pyrrol-2-yl)-3-thiophen-2-yl-1H-indole?
The IUPAC name of 4-(furan-2-yl)-2-pyridin-2-yl-5-(1H-pyrrol-2-yl)-3-thiophen-2-yl-1H-indole (CID 141055418) is 4-(furan-2-yl)-2-pyridin-2-yl-5-(1H-pyrrol-2-yl)-3-thiophen-2-yl-1H-indole.
What is the SMILES notation for 4-(furan-2-yl)-2-pyridin-2-yl-5-(1H-pyrrol-2-yl)-3-thiophen-2-yl-1H-indole?
The canonical SMILES for 4-(furan-2-yl)-2-pyridin-2-yl-5-(1H-pyrrol-2-yl)-3-thiophen-2-yl-1H-indole is c1ccc(-c2[nH]c3ccc(-c4ccc[nH]4)c(-c4ccco4)c3c2-c2cccs2)nc1.
What is the InChIKey of 4-(furan-2-yl)-2-pyridin-2-yl-5-(1H-pyrrol-2-yl)-3-thiophen-2-yl-1H-indole?
The InChIKey is CMKCHFPXVFIJDY-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H17N3OS/c1-2-12-27-19(6-1)25-24(21-9-5-15-30-21)23-18(28-25)11-10-16(17-7-3-13-26-17)22(23)20-8-4-14-29-20/h1-15,26,28H.
What are the key properties of 4-(furan-2-yl)-2-pyridin-2-yl-5-(1H-pyrrol-2-yl)-3-thiophen-2-yl-1H-indole?
4-(furan-2-yl)-2-pyridin-2-yl-5-(1H-pyrrol-2-yl)-3-thiophen-2-yl-1H-indole has a molecular weight of 407.50 g/mol, XLogP of 7.21, 4 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(furan-2-yl)-2-pyridin-2-yl-5-(1H-pyrrol-2-yl)-3-thiophen-2-yl-1H-indole is sourced from PubChem (CID 141055418), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).