2-(4-pyridin-2-yl-5-pyrimidin-2-yl-3-thieno[3,2-c]pyridin-2-yl-1H-pyrrol-2-yl)furo[3,2-c]pyridine

C27H16N6OS — CID 141337210

IUPAC2-(4-pyridin-2-yl-5-pyrimidin-2-yl-3-thieno[3,2-c]pyridin-2-yl-1H-pyrrol-2-yl)furo[3,2-c]pyridine
SMILESc1ccc(-c2c(-c3ncccn3)[nH]c(-c3cc4cnccc4o3)c2-c2cc3cnccc3s2)nc1
InChIInChI=1S/C27H16N6OS/c1-2-7-30-18(4-1)23-24(22-13-17-15-29-11-6-21(17)35-22)25(33-26(23)27-31-8-3-9-32-27)20-12-16-14-28-10-5-19(16)34-20/h1-15,33H
InChIKeyOGQXEBQTBHHTNA-UHFFFAOYSA-N
MW472.53 g/mol
LogP6.62
Rot. Bonds4

About 2-(4-pyridin-2-yl-5-pyrimidin-2-yl-3-thieno[3,2-c]pyridin-2-yl-1H-pyrrol-2-yl)furo[3,2-c]pyridine

2-(4-pyridin-2-yl-5-pyrimidin-2-yl-3-thieno[3,2-c]pyridin-2-yl-1H-pyrrol-2-yl)furo[3,2-c]pyridine (PubChem CID 141337210) has the molecular formula C27H16N6OS and a molecular weight of 472.53 g/mol. Its IUPAC name is 2-(4-pyridin-2-yl-5-pyrimidin-2-yl-3-thieno[3,2-c]pyridin-2-yl-1H-pyrrol-2-yl)furo[3,2-c]pyridine.

Molecular Properties

Compound Name2-(4-pyridin-2-yl-5-pyrimidin-2-yl-3-thieno[3,2-c]pyridin-2-yl-1H-pyrrol-2-yl)furo[3,2-c]pyridine
PubChem CID141337210
Molecular FormulaC27H16N6OS
Molecular Weight472.53 g/mol
Exact Mass472.11
IUPAC Name2-(4-pyridin-2-yl-5-pyrimidin-2-yl-3-thieno[3,2-c]pyridin-2-yl-1H-pyrrol-2-yl)furo[3,2-c]pyridine
SMILESc1ccc(-c2c(-c3ncccn3)[nH]c(-c3cc4cnccc4o3)c2-c2cc3cnccc3s2)nc1
InChIInChI=1S/C27H16N6OS/c1-2-7-30-18(4-1)23-24(22-13-17-15-29-11-6-21(17)35-22)25(33-26(23)27-31-8-3-9-32-27)20-12-16-14-28-10-5-19(16)34-20/h1-15,33H
InChIKeyOGQXEBQTBHHTNA-UHFFFAOYSA-N
XLogP6.62
TPSA93.38 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds4
Heavy Atoms35
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500472.53
LogP ≤ 56.62
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

Analyze 2-(4-pyridin-2-yl-5-pyrimidin-2-yl-3-thieno[3,2-c]pyridin-2-yl-1H-pyrrol-2-yl)furo[3,2-c]pyridine with MolForge

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Related Compounds

2'(2-(benzofuran-2-yl)pyrimidin-4-yl)-5',6'-dihydrospiro[piperidine-4,7'-pyrrolo[3,2-c]pyridin]-4'(1'H)-one
CID 53246589
2-[2-(1-benzofuran-2-yl)pyrimidin-4-yl]spiro[5,6-dihydro-1H-pyrrolo[3,2-c]pyridine-7,3'-piperidine]-4-one
CID 54580897
2-[2-(1-benzofuran-2-yl)pyrimidin-4-yl]-1'-methylspiro[5,6-dihydro-1H-pyrrolo[3,2-c]pyridine-7,4'-piperidine]-4-one
CID 54582875
2-[2-(1-benzofuran-2-yl)pyrimidin-4-yl]-1'-ethylspiro[5,6-dihydro-1H-pyrrolo[3,2-c]pyridine-7,4'-piperidine]-4-one
CID 54587800
4-(1-benzofuran-2-yl)-2-[1-(3H-imidazo[4,5-c]pyridin-2-ylmethyl)piperidin-4-yl]-1,3-thiazole
CID 166633163
2-Amino-N-furo[3,2-b]pyridin-7-yl-5-(5-morpholin-4-ylmethyl-thiophen-2-yl)-nicotinamide
CID 71061239
4-(1-Methylimidazol-4-yl)-2-thieno[2,3-c]pyridin-3-ylfuro[2,3-c]pyridin-7-amine
CID 66760209
4-(furan-2-yl)-5-thiophen-2-ylsulfanyl-7H-pyrrolo[2,3-d]pyrimidine
CID 127034649
5-(furan-2-yl)-2,2-dimethyl-N-(pyridin-2-ylmethyl)-1,4-dihydro-2H-pyrano[4'',3'':4',5']pyrido[3',2':4,5]thieno[3,2-d]pyrimidin-8-amine
CID 2014935
5-(2-Fluoro-4-pyridinyl)-4-(furan-2-yl)-6-thiophen-3-ylpyrimidin-2-amine
CID 23020440
5-(2-Fluoro-4-pyridinyl)-4-(furan-2-yl)-6-thiophen-2-ylpyrimidin-2-amine
CID 23020465
5-[2-(5-Fluoro-3-pyridinyl)-4-methyl-1,3-thiazol-5-yl]-7-pyrimidin-2-ylfuro[2,3-c]pyridine
CID 123212989

Frequently Asked Questions

What is the IUPAC name of 2-(4-pyridin-2-yl-5-pyrimidin-2-yl-3-thieno[3,2-c]pyridin-2-yl-1H-pyrrol-2-yl)furo[3,2-c]pyridine?
The IUPAC name of 2-(4-pyridin-2-yl-5-pyrimidin-2-yl-3-thieno[3,2-c]pyridin-2-yl-1H-pyrrol-2-yl)furo[3,2-c]pyridine (CID 141337210) is 2-(4-pyridin-2-yl-5-pyrimidin-2-yl-3-thieno[3,2-c]pyridin-2-yl-1H-pyrrol-2-yl)furo[3,2-c]pyridine.
What is the SMILES notation for 2-(4-pyridin-2-yl-5-pyrimidin-2-yl-3-thieno[3,2-c]pyridin-2-yl-1H-pyrrol-2-yl)furo[3,2-c]pyridine?
The canonical SMILES for 2-(4-pyridin-2-yl-5-pyrimidin-2-yl-3-thieno[3,2-c]pyridin-2-yl-1H-pyrrol-2-yl)furo[3,2-c]pyridine is c1ccc(-c2c(-c3ncccn3)[nH]c(-c3cc4cnccc4o3)c2-c2cc3cnccc3s2)nc1.
What is the InChIKey of 2-(4-pyridin-2-yl-5-pyrimidin-2-yl-3-thieno[3,2-c]pyridin-2-yl-1H-pyrrol-2-yl)furo[3,2-c]pyridine?
The InChIKey is OGQXEBQTBHHTNA-UHFFFAOYSA-N. The full InChI is InChI=1S/C27H16N6OS/c1-2-7-30-18(4-1)23-24(22-13-17-15-29-11-6-21(17)35-22)25(33-26(23)27-31-8-3-9-32-27)20-12-16-14-28-10-5-19(16)34-20/h1-15,33H.
What are the key properties of 2-(4-pyridin-2-yl-5-pyrimidin-2-yl-3-thieno[3,2-c]pyridin-2-yl-1H-pyrrol-2-yl)furo[3,2-c]pyridine?
2-(4-pyridin-2-yl-5-pyrimidin-2-yl-3-thieno[3,2-c]pyridin-2-yl-1H-pyrrol-2-yl)furo[3,2-c]pyridine has a molecular weight of 472.53 g/mol, XLogP of 6.62, 4 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(4-pyridin-2-yl-5-pyrimidin-2-yl-3-thieno[3,2-c]pyridin-2-yl-1H-pyrrol-2-yl)furo[3,2-c]pyridine is sourced from PubChem (CID 141337210), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).