7-[4-[5-(2,2-dimethylpropyl)thiophen-2-yl]-2-pyridinyl]-4,13-dimethyl-5,10-dioxa-12-azatetracyclo[7.7.0.02,6.011,16]hexadeca-1(9),2(6),3,7,11(16),12,14-heptaene

C29H26N2O2S — CID 165168018

IUPAC7-[4-[5-(2,2-dimethylpropyl)thiophen-2-yl]-2-pyridinyl]-4,13-dimethyl-5,10-dioxa-12-azatetracyclo[7.7.0.02,6.011,16]hexadeca-1(9),2(6),3,7,11(16),12,14-heptaene
SMILESCc1ccc2c(n1)oc1cc(-c3cc(-c4ccc(CC(C)(C)C)s4)ccn3)c3oc(C)cc3c12
InChIInChI=1S/C29H26N2O2S/c1-16-6-8-20-26-22-12-17(2)32-27(22)21(14-24(26)33-28(20)31-16)23-13-18(10-11-30-23)25-9-7-19(34-25)15-29(3,4)5/h6-14H,15H2,1-5H3
InChIKeyHBHSXRRRZNDRPT-UHFFFAOYSA-N
MW466.61 g/mol
LogP8.72
Rot. Bonds3

About 7-[4-[5-(2,2-dimethylpropyl)thiophen-2-yl]-2-pyridinyl]-4,13-dimethyl-5,10-dioxa-12-azatetracyclo[7.7.0.02,6.011,16]hexadeca-1(9),2(6),3,7,11(16),12,14-heptaene

7-[4-[5-(2,2-dimethylpropyl)thiophen-2-yl]-2-pyridinyl]-4,13-dimethyl-5,10-dioxa-12-azatetracyclo[7.7.0.02,6.011,16]hexadeca-1(9),2(6),3,7,11(16),12,14-heptaene (PubChem CID 165168018) has the molecular formula C29H26N2O2S and a molecular weight of 466.61 g/mol. Its IUPAC name is 7-[4-[5-(2,2-dimethylpropyl)thiophen-2-yl]-2-pyridinyl]-4,13-dimethyl-5,10-dioxa-12-azatetracyclo[7.7.0.02,6.011,16]hexadeca-1(9),2(6),3,7,11(16),12,14-heptaene.

Molecular Properties

Compound Name7-[4-[5-(2,2-dimethylpropyl)thiophen-2-yl]-2-pyridinyl]-4,13-dimethyl-5,10-dioxa-12-azatetracyclo[7.7.0.02,6.011,16]hexadeca-1(9),2(6),3,7,11(16),12,14-heptaene
PubChem CID165168018
Molecular FormulaC29H26N2O2S
Molecular Weight466.61 g/mol
Exact Mass466.17
IUPAC Name7-[4-[5-(2,2-dimethylpropyl)thiophen-2-yl]-2-pyridinyl]-4,13-dimethyl-5,10-dioxa-12-azatetracyclo[7.7.0.02,6.011,16]hexadeca-1(9),2(6),3,7,11(16),12,14-heptaene
SMILESCc1ccc2c(n1)oc1cc(-c3cc(-c4ccc(CC(C)(C)C)s4)ccn3)c3oc(C)cc3c12
InChIInChI=1S/C29H26N2O2S/c1-16-6-8-20-26-22-12-17(2)32-27(22)21(14-24(26)33-28(20)31-16)23-13-18(10-11-30-23)25-9-7-19(34-25)15-29(3,4)5/h6-14H,15H2,1-5H3
InChIKeyHBHSXRRRZNDRPT-UHFFFAOYSA-N
XLogP8.72
TPSA52.06 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms34
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500466.61
LogP ≤ 58.72
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

Analyze 7-[4-[5-(2,2-dimethylpropyl)thiophen-2-yl]-2-pyridinyl]-4,13-dimethyl-5,10-dioxa-12-azatetracyclo[7.7.0.02,6.011,16]hexadeca-1(9),2(6),3,7,11(16),12,14-heptaene with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

CID 165168017
CID 165168017
CID 165168035
CID 165168035
2-methyl-8-[4-(4-phenylnaphthalen-1-yl)-2-pyridinyl]-[1]benzofuro[2,3-b]pyridine
CID 176778940
8-[4-(3-fluorophenyl)-2-pyridinyl]-2-methyl-[1]benzofuro[2,3-b]pyridine
CID 90121582
2-methyl-8-[4-(2-methyl-4-phenylnaphthalen-1-yl)-2-pyridinyl]-[1]benzofuro[2,3-b]pyridine
CID 176779070
2-[5-(2,2-dimethylpropyl)thiophen-2-yl]pyridine
CID 59453583
8-[4-(2,3-difluorophenyl)-2-pyridinyl]-2-methyl-[1]benzofuro[2,3-b]pyridine
CID 90121594
10-[4-(2,2-dimethylpropyl)-2-pyridinyl]-3-methyl-[1]benzofuro[2,3-f]quinoline
CID 172522572
2-methyl-8-[4-(5-methylquinolin-6-yl)-2-pyridinyl]-[1]benzofuro[2,3-b]pyridine
CID 176778917
2-methyl-8-[4-(3-propan-2-ylphenyl)-2-pyridinyl]-[1]benzofuro[2,3-b]pyridine
CID 90121498
8-[4-[4,6-di(propan-2-yl)-2-pyridinyl]-2-pyridinyl]-2-methyl-[1]benzofuro[2,3-b]pyridine
CID 170365401
8-[2-(4-tert-butylphenyl)thieno[3,2-c]pyridin-6-yl]-2-methyl-[1]benzofuro[2,3-b]pyridine
CID 155626002

Frequently Asked Questions

What is the IUPAC name of 7-[4-[5-(2,2-dimethylpropyl)thiophen-2-yl]-2-pyridinyl]-4,13-dimethyl-5,10-dioxa-12-azatetracyclo[7.7.0.02,6.011,16]hexadeca-1(9),2(6),3,7,11(16),12,14-heptaene?
The IUPAC name of 7-[4-[5-(2,2-dimethylpropyl)thiophen-2-yl]-2-pyridinyl]-4,13-dimethyl-5,10-dioxa-12-azatetracyclo[7.7.0.02,6.011,16]hexadeca-1(9),2(6),3,7,11(16),12,14-heptaene (CID 165168018) is 7-[4-[5-(2,2-dimethylpropyl)thiophen-2-yl]-2-pyridinyl]-4,13-dimethyl-5,10-dioxa-12-azatetracyclo[7.7.0.02,6.011,16]hexadeca-1(9),2(6),3,7,11(16),12,14-heptaene.
What is the SMILES notation for 7-[4-[5-(2,2-dimethylpropyl)thiophen-2-yl]-2-pyridinyl]-4,13-dimethyl-5,10-dioxa-12-azatetracyclo[7.7.0.02,6.011,16]hexadeca-1(9),2(6),3,7,11(16),12,14-heptaene?
The canonical SMILES for 7-[4-[5-(2,2-dimethylpropyl)thiophen-2-yl]-2-pyridinyl]-4,13-dimethyl-5,10-dioxa-12-azatetracyclo[7.7.0.02,6.011,16]hexadeca-1(9),2(6),3,7,11(16),12,14-heptaene is Cc1ccc2c(n1)oc1cc(-c3cc(-c4ccc(CC(C)(C)C)s4)ccn3)c3oc(C)cc3c12.
What is the InChIKey of 7-[4-[5-(2,2-dimethylpropyl)thiophen-2-yl]-2-pyridinyl]-4,13-dimethyl-5,10-dioxa-12-azatetracyclo[7.7.0.02,6.011,16]hexadeca-1(9),2(6),3,7,11(16),12,14-heptaene?
The InChIKey is HBHSXRRRZNDRPT-UHFFFAOYSA-N. The full InChI is InChI=1S/C29H26N2O2S/c1-16-6-8-20-26-22-12-17(2)32-27(22)21(14-24(26)33-28(20)31-16)23-13-18(10-11-30-23)25-9-7-19(34-25)15-29(3,4)5/h6-14H,15H2,1-5H3.
What are the key properties of 7-[4-[5-(2,2-dimethylpropyl)thiophen-2-yl]-2-pyridinyl]-4,13-dimethyl-5,10-dioxa-12-azatetracyclo[7.7.0.02,6.011,16]hexadeca-1(9),2(6),3,7,11(16),12,14-heptaene?
7-[4-[5-(2,2-dimethylpropyl)thiophen-2-yl]-2-pyridinyl]-4,13-dimethyl-5,10-dioxa-12-azatetracyclo[7.7.0.02,6.011,16]hexadeca-1(9),2(6),3,7,11(16),12,14-heptaene has a molecular weight of 466.61 g/mol, XLogP of 8.72, 3 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 7-[4-[5-(2,2-dimethylpropyl)thiophen-2-yl]-2-pyridinyl]-4,13-dimethyl-5,10-dioxa-12-azatetracyclo[7.7.0.02,6.011,16]hexadeca-1(9),2(6),3,7,11(16),12,14-heptaene is sourced from PubChem (CID 165168018), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).