2-[2-(2,3-dihydrofuro[3,2-b]pyridin-2-yl)-2-thieno[3,2-b]pyridin-2-yl-3H-thieno[3,2-b]pyridin-3-yl]furo[3,2-b]pyridine

C28H18N4O2S2 — CID 141190249

IUPAC2-[2-(2,3-dihydrofuro[3,2-b]pyridin-2-yl)-2-thieno[3,2-b]pyridin-2-yl-3H-thieno[3,2-b]pyridin-3-yl]furo[3,2-b]pyridine
SMILESc1cnc2c(c1)OC(C1(c3cc4ncccc4s3)Sc3cccnc3C1c1cc3ncccc3o1)C2
InChIInChI=1S/C28H18N4O2S2/c1-5-19-16(29-9-1)13-21(33-19)26-27-23(8-4-12-32-27)36-28(26,24-14-17-20(34-24)6-2-10-30-17)25-15-18-22(35-25)7-3-11-31-18/h1-13,15,24,26H,14H2
InChIKeyHXIZRZIEBIJLAM-UHFFFAOYSA-N
MW506.61 g/mol
LogP6.36
Rot. Bonds3

About 2-[2-(2,3-dihydrofuro[3,2-b]pyridin-2-yl)-2-thieno[3,2-b]pyridin-2-yl-3H-thieno[3,2-b]pyridin-3-yl]furo[3,2-b]pyridine

2-[2-(2,3-dihydrofuro[3,2-b]pyridin-2-yl)-2-thieno[3,2-b]pyridin-2-yl-3H-thieno[3,2-b]pyridin-3-yl]furo[3,2-b]pyridine (PubChem CID 141190249) has the molecular formula C28H18N4O2S2 and a molecular weight of 506.61 g/mol. Its IUPAC name is 2-[2-(2,3-dihydrofuro[3,2-b]pyridin-2-yl)-2-thieno[3,2-b]pyridin-2-yl-3H-thieno[3,2-b]pyridin-3-yl]furo[3,2-b]pyridine.

Molecular Properties

Compound Name2-[2-(2,3-dihydrofuro[3,2-b]pyridin-2-yl)-2-thieno[3,2-b]pyridin-2-yl-3H-thieno[3,2-b]pyridin-3-yl]furo[3,2-b]pyridine
PubChem CID141190249
Molecular FormulaC28H18N4O2S2
Molecular Weight506.61 g/mol
Exact Mass506.09
IUPAC Name2-[2-(2,3-dihydrofuro[3,2-b]pyridin-2-yl)-2-thieno[3,2-b]pyridin-2-yl-3H-thieno[3,2-b]pyridin-3-yl]furo[3,2-b]pyridine
SMILESc1cnc2c(c1)OC(C1(c3cc4ncccc4s3)Sc3cccnc3C1c1cc3ncccc3o1)C2
InChIInChI=1S/C28H18N4O2S2/c1-5-19-16(29-9-1)13-21(33-19)26-27-23(8-4-12-32-27)36-28(26,24-14-17-20(34-24)6-2-10-30-17)25-15-18-22(35-25)7-3-11-31-18/h1-13,15,24,26H,14H2
InChIKeyHXIZRZIEBIJLAM-UHFFFAOYSA-N
XLogP6.36
TPSA73.93 Ų
H-Bond Donors
H-Bond Acceptors8
Rotatable Bonds3
Heavy Atoms36
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500506.61
LogP ≤ 56.36
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 108

Analyze 2-[2-(2,3-dihydrofuro[3,2-b]pyridin-2-yl)-2-thieno[3,2-b]pyridin-2-yl-3H-thieno[3,2-b]pyridin-3-yl]furo[3,2-b]pyridine with MolForge

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Launch Full Analysis

Related Compounds

Methyl 5-(6-furo[3,2-b]pyridin-2-yl-3-pyridinyl)-3-[(4-methylcyclohexanecarbonyl)-propan-2-ylamino]thiophene-2-carboxylate
CID 57703575
Ethyl 5-(5-furo[3,2-b]pyridin-2-ylthiophen-2-yl)-3-[(4-methylcyclohexanecarbonyl)-propan-2-ylamino]thiophene-2-carboxylate
CID 57703608
1-(4-Furo[3,2-b]pyridin-6-yl-2-methyl-5,6,7,8-tetrahydro-[1]benzothiolo[2,3-b]pyridin-3-yl)-1-[(2-methylpropan-2-yl)oxy]propan-2-one
CID 67890899
methyl 5-(4-furo[3,2-b]pyridin-2-ylphenyl)-3-[1-methyl-5-(4-methylcyclohexyl)-3,6-dihydro-2H-pyridin-4-yl]thiophene-2-carboxylate
CID 70351862
Furo[3,2-b]pyridine;thieno[3,4-c]pyridine
CID 70473386
Methyl 3-[2-ethoxyethyl-(4-methylcyclohexanecarbonyl)amino]-5-(4-furo[3,2-b]pyridin-2-ylcyclohexa-1,5-dien-1-yl)thiophene-2-carboxylate
CID 71124446
Methyl 5-(4-furo[3,2-b]pyridin-2-ylcyclohexa-1,5-dien-1-yl)-3-[2-methoxyethyl-(4-methylcyclohexanecarbonyl)amino]thiophene-2-carboxylate
CID 71124718
Methyl 5-(4-furo[3,2-b]pyridin-2-ylphenyl)-3-[(4-methylcyclohexanecarbonyl)-(oxolan-3-yl)amino]thiophene-2-carboxylate
CID 71124729
Ethyl 3-[cyclohexanecarbonyl(propan-2-yl)amino]-5-(5-furo[3,2-b]pyridin-2-ylthiophen-2-yl)thiophene-2-carboxylate
CID 71191513
5-[2-[5-(Morpholin-4-ylmethyl)thiophen-2-yl]furo[3,2-b]pyridin-7-yl]-2-(oxan-4-yloxy)benzonitrile
CID 71677848
N-[2-formyl-5-(4-furo[3,2-b]pyridin-2-ylphenyl)thiophen-3-yl]-4-methyl-N-propan-2-ylcyclohexane-1-carboxamide
CID 89187692
8-[6-[8-([1]Benzofuro[3,2-b]pyridin-8-yl)dibenzothiophen-2-yl]-2-pyridinyl]-[1]benzofuro[3,2-b]pyridine
CID 90250417

Frequently Asked Questions

What is the IUPAC name of 2-[2-(2,3-dihydrofuro[3,2-b]pyridin-2-yl)-2-thieno[3,2-b]pyridin-2-yl-3H-thieno[3,2-b]pyridin-3-yl]furo[3,2-b]pyridine?
The IUPAC name of 2-[2-(2,3-dihydrofuro[3,2-b]pyridin-2-yl)-2-thieno[3,2-b]pyridin-2-yl-3H-thieno[3,2-b]pyridin-3-yl]furo[3,2-b]pyridine (CID 141190249) is 2-[2-(2,3-dihydrofuro[3,2-b]pyridin-2-yl)-2-thieno[3,2-b]pyridin-2-yl-3H-thieno[3,2-b]pyridin-3-yl]furo[3,2-b]pyridine.
What is the SMILES notation for 2-[2-(2,3-dihydrofuro[3,2-b]pyridin-2-yl)-2-thieno[3,2-b]pyridin-2-yl-3H-thieno[3,2-b]pyridin-3-yl]furo[3,2-b]pyridine?
The canonical SMILES for 2-[2-(2,3-dihydrofuro[3,2-b]pyridin-2-yl)-2-thieno[3,2-b]pyridin-2-yl-3H-thieno[3,2-b]pyridin-3-yl]furo[3,2-b]pyridine is c1cnc2c(c1)OC(C1(c3cc4ncccc4s3)Sc3cccnc3C1c1cc3ncccc3o1)C2.
What is the InChIKey of 2-[2-(2,3-dihydrofuro[3,2-b]pyridin-2-yl)-2-thieno[3,2-b]pyridin-2-yl-3H-thieno[3,2-b]pyridin-3-yl]furo[3,2-b]pyridine?
The InChIKey is HXIZRZIEBIJLAM-UHFFFAOYSA-N. The full InChI is InChI=1S/C28H18N4O2S2/c1-5-19-16(29-9-1)13-21(33-19)26-27-23(8-4-12-32-27)36-28(26,24-14-17-20(34-24)6-2-10-30-17)25-15-18-22(35-25)7-3-11-31-18/h1-13,15,24,26H,14H2.
What are the key properties of 2-[2-(2,3-dihydrofuro[3,2-b]pyridin-2-yl)-2-thieno[3,2-b]pyridin-2-yl-3H-thieno[3,2-b]pyridin-3-yl]furo[3,2-b]pyridine?
2-[2-(2,3-dihydrofuro[3,2-b]pyridin-2-yl)-2-thieno[3,2-b]pyridin-2-yl-3H-thieno[3,2-b]pyridin-3-yl]furo[3,2-b]pyridine has a molecular weight of 506.61 g/mol, XLogP of 6.36, 3 rotatable bonds, 0 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[2-(2,3-dihydrofuro[3,2-b]pyridin-2-yl)-2-thieno[3,2-b]pyridin-2-yl-3H-thieno[3,2-b]pyridin-3-yl]furo[3,2-b]pyridine is sourced from PubChem (CID 141190249), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).