4-methoxy-3-(morpholin-4-ylmethyl)-N-[7-([1,3]thiazolo[5,4-c]pyridin-2-yl)cyclohepta-1,6-dien-1-yl]benzamide

C26H28N4O3S — CID 143408184

IUPAC4-methoxy-3-(morpholin-4-ylmethyl)-N-[7-([1,3]thiazolo[5,4-c]pyridin-2-yl)cyclohepta-1,6-dien-1-yl]benzamide
SMILESCOc1ccc(C(=O)NC2=CCCCC=C2c2nc3ccncc3s2)cc1CN1CCOCC1
InChIInChI=1S/C26H28N4O3S/c1-32-23-8-7-18(15-19(23)17-30-11-13-33-14-12-30)25(31)28-21-6-4-2-3-5-20(21)26-29-22-9-10-27-16-24(22)34-26/h5-10,15-16H,2-4,11-14,17H2,1H3,(H,28,31)
InChIKeyCNMGMSFIAMFUBG-UHFFFAOYSA-N
MW476.60 g/mol
LogP4.41
Rot. Bonds6

About 4-methoxy-3-(morpholin-4-ylmethyl)-N-[7-([1,3]thiazolo[5,4-c]pyridin-2-yl)cyclohepta-1,6-dien-1-yl]benzamide

4-methoxy-3-(morpholin-4-ylmethyl)-N-[7-([1,3]thiazolo[5,4-c]pyridin-2-yl)cyclohepta-1,6-dien-1-yl]benzamide (PubChem CID 143408184) has the molecular formula C26H28N4O3S and a molecular weight of 476.60 g/mol. Its IUPAC name is 4-methoxy-3-(morpholin-4-ylmethyl)-N-[7-([1,3]thiazolo[5,4-c]pyridin-2-yl)cyclohepta-1,6-dien-1-yl]benzamide.

Molecular Properties

Compound Name4-methoxy-3-(morpholin-4-ylmethyl)-N-[7-([1,3]thiazolo[5,4-c]pyridin-2-yl)cyclohepta-1,6-dien-1-yl]benzamide
PubChem CID143408184
Molecular FormulaC26H28N4O3S
Molecular Weight476.60 g/mol
Exact Mass476.19
IUPAC Name4-methoxy-3-(morpholin-4-ylmethyl)-N-[7-([1,3]thiazolo[5,4-c]pyridin-2-yl)cyclohepta-1,6-dien-1-yl]benzamide
SMILESCOc1ccc(C(=O)NC2=CCCCC=C2c2nc3ccncc3s2)cc1CN1CCOCC1
InChIInChI=1S/C26H28N4O3S/c1-32-23-8-7-18(15-19(23)17-30-11-13-33-14-12-30)25(31)28-21-6-4-2-3-5-20(21)26-29-22-9-10-27-16-24(22)34-26/h5-10,15-16H,2-4,11-14,17H2,1H3,(H,28,31)
InChIKeyCNMGMSFIAMFUBG-UHFFFAOYSA-N
XLogP4.41
TPSA76.58 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds6
Heavy Atoms34
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500476.60
LogP ≤ 54.41
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

Analyze 4-methoxy-3-(morpholin-4-ylmethyl)-N-[7-([1,3]thiazolo[5,4-c]pyridin-2-yl)cyclohepta-1,6-dien-1-yl]benzamide with MolForge

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

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of 4-methoxy-3-(morpholin-4-ylmethyl)-N-[7-([1,3]thiazolo[5,4-c]pyridin-2-yl)cyclohepta-1,6-dien-1-yl]benzamide?
The IUPAC name of 4-methoxy-3-(morpholin-4-ylmethyl)-N-[7-([1,3]thiazolo[5,4-c]pyridin-2-yl)cyclohepta-1,6-dien-1-yl]benzamide (CID 143408184) is 4-methoxy-3-(morpholin-4-ylmethyl)-N-[7-([1,3]thiazolo[5,4-c]pyridin-2-yl)cyclohepta-1,6-dien-1-yl]benzamide.
What is the SMILES notation for 4-methoxy-3-(morpholin-4-ylmethyl)-N-[7-([1,3]thiazolo[5,4-c]pyridin-2-yl)cyclohepta-1,6-dien-1-yl]benzamide?
The canonical SMILES for 4-methoxy-3-(morpholin-4-ylmethyl)-N-[7-([1,3]thiazolo[5,4-c]pyridin-2-yl)cyclohepta-1,6-dien-1-yl]benzamide is COc1ccc(C(=O)NC2=CCCCC=C2c2nc3ccncc3s2)cc1CN1CCOCC1.
What is the InChIKey of 4-methoxy-3-(morpholin-4-ylmethyl)-N-[7-([1,3]thiazolo[5,4-c]pyridin-2-yl)cyclohepta-1,6-dien-1-yl]benzamide?
The InChIKey is CNMGMSFIAMFUBG-UHFFFAOYSA-N. The full InChI is InChI=1S/C26H28N4O3S/c1-32-23-8-7-18(15-19(23)17-30-11-13-33-14-12-30)25(31)28-21-6-4-2-3-5-20(21)26-29-22-9-10-27-16-24(22)34-26/h5-10,15-16H,2-4,11-14,17H2,1H3,(H,28,31).
What are the key properties of 4-methoxy-3-(morpholin-4-ylmethyl)-N-[7-([1,3]thiazolo[5,4-c]pyridin-2-yl)cyclohepta-1,6-dien-1-yl]benzamide?
4-methoxy-3-(morpholin-4-ylmethyl)-N-[7-([1,3]thiazolo[5,4-c]pyridin-2-yl)cyclohepta-1,6-dien-1-yl]benzamide has a molecular weight of 476.60 g/mol, XLogP of 4.41, 6 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 4-methoxy-3-(morpholin-4-ylmethyl)-N-[7-([1,3]thiazolo[5,4-c]pyridin-2-yl)cyclohepta-1,6-dien-1-yl]benzamide is sourced from PubChem (CID 143408184), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).