5-(1H-pyrrolo[3,2-b]pyridin-2-yl)-2-thieno[3,2-b]pyridin-6-ylfuro[3,2-b]pyridine

C21H12N4OS — CID 130434104

IUPAC5-(1H-pyrrolo[3,2-b]pyridin-2-yl)-2-thieno[3,2-b]pyridin-6-ylfuro[3,2-b]pyridine
SMILESc1cnc2cc(-c3ccc4oc(-c5cnc6ccsc6c5)cc4n3)[nH]c2c1
InChIInChI=1S/C21H12N4OS/c1-2-13-16(22-6-1)9-17(24-13)14-3-4-19-18(25-14)10-20(26-19)12-8-21-15(23-11-12)5-7-27-21/h1-11,24H
InChIKeyDDRXDAPNHCJHIP-UHFFFAOYSA-N
MW368.42 g/mol
LogP5.65
Rot. Bonds2

About 5-(1H-pyrrolo[3,2-b]pyridin-2-yl)-2-thieno[3,2-b]pyridin-6-ylfuro[3,2-b]pyridine

5-(1H-pyrrolo[3,2-b]pyridin-2-yl)-2-thieno[3,2-b]pyridin-6-ylfuro[3,2-b]pyridine (PubChem CID 130434104) has the molecular formula C21H12N4OS and a molecular weight of 368.42 g/mol. Its IUPAC name is 5-(1H-pyrrolo[3,2-b]pyridin-2-yl)-2-thieno[3,2-b]pyridin-6-ylfuro[3,2-b]pyridine.

Molecular Properties

Compound Name5-(1H-pyrrolo[3,2-b]pyridin-2-yl)-2-thieno[3,2-b]pyridin-6-ylfuro[3,2-b]pyridine
PubChem CID130434104
Molecular FormulaC21H12N4OS
Molecular Weight368.42 g/mol
Exact Mass368.07
IUPAC Name5-(1H-pyrrolo[3,2-b]pyridin-2-yl)-2-thieno[3,2-b]pyridin-6-ylfuro[3,2-b]pyridine
SMILESc1cnc2cc(-c3ccc4oc(-c5cnc6ccsc6c5)cc4n3)[nH]c2c1
InChIInChI=1S/C21H12N4OS/c1-2-13-16(22-6-1)9-17(24-13)14-3-4-19-18(25-14)10-20(26-19)12-8-21-15(23-11-12)5-7-27-21/h1-11,24H
InChIKeyDDRXDAPNHCJHIP-UHFFFAOYSA-N
XLogP5.65
TPSA67.60 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds2
Heavy Atoms27
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500368.42
LogP ≤ 55.65
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 5-(1H-pyrrolo[3,2-b]pyridin-2-yl)-2-thieno[3,2-b]pyridin-6-ylfuro[3,2-b]pyridine?
The IUPAC name of 5-(1H-pyrrolo[3,2-b]pyridin-2-yl)-2-thieno[3,2-b]pyridin-6-ylfuro[3,2-b]pyridine (CID 130434104) is 5-(1H-pyrrolo[3,2-b]pyridin-2-yl)-2-thieno[3,2-b]pyridin-6-ylfuro[3,2-b]pyridine.
What is the SMILES notation for 5-(1H-pyrrolo[3,2-b]pyridin-2-yl)-2-thieno[3,2-b]pyridin-6-ylfuro[3,2-b]pyridine?
The canonical SMILES for 5-(1H-pyrrolo[3,2-b]pyridin-2-yl)-2-thieno[3,2-b]pyridin-6-ylfuro[3,2-b]pyridine is c1cnc2cc(-c3ccc4oc(-c5cnc6ccsc6c5)cc4n3)[nH]c2c1.
What is the InChIKey of 5-(1H-pyrrolo[3,2-b]pyridin-2-yl)-2-thieno[3,2-b]pyridin-6-ylfuro[3,2-b]pyridine?
The InChIKey is DDRXDAPNHCJHIP-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H12N4OS/c1-2-13-16(22-6-1)9-17(24-13)14-3-4-19-18(25-14)10-20(26-19)12-8-21-15(23-11-12)5-7-27-21/h1-11,24H.
What are the key properties of 5-(1H-pyrrolo[3,2-b]pyridin-2-yl)-2-thieno[3,2-b]pyridin-6-ylfuro[3,2-b]pyridine?
5-(1H-pyrrolo[3,2-b]pyridin-2-yl)-2-thieno[3,2-b]pyridin-6-ylfuro[3,2-b]pyridine has a molecular weight of 368.42 g/mol, XLogP of 5.65, 2 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 5-(1H-pyrrolo[3,2-b]pyridin-2-yl)-2-thieno[3,2-b]pyridin-6-ylfuro[3,2-b]pyridine is sourced from PubChem (CID 130434104), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).