2-(5H-chromeno[2,3-b]pyridin-5-yl)-2-methyl-N-[4-[(4-pyridin-4-ylphenyl)methyl]-1,3-thiazol-2-yl]propanamide

C31H26N4O2S — CID 24956107

IUPAC2-(5H-chromeno[2,3-b]pyridin-5-yl)-2-methyl-N-[4-[(4-pyridin-4-ylphenyl)methyl]-1,3-thiazol-2-yl]propanamide
SMILESCC(C)(C(=O)Nc1nc(Cc2ccc(-c3ccncc3)cc2)cs1)C1c2ccccc2Oc2ncccc21
InChIInChI=1S/C31H26N4O2S/c1-31(2,27-24-6-3-4-8-26(24)37-28-25(27)7-5-15-33-28)29(36)35-30-34-23(19-38-30)18-20-9-11-21(12-10-20)22-13-16-32-17-14-22/h3-17,19,27H,18H2,1-2H3,(H,34,35,36)
InChIKeySAMNMNOGPNFMRB-UHFFFAOYSA-N
MW518.64 g/mol
LogP7.09
Rot. Bonds6

About 2-(5H-chromeno[2,3-b]pyridin-5-yl)-2-methyl-N-[4-[(4-pyridin-4-ylphenyl)methyl]-1,3-thiazol-2-yl]propanamide

2-(5H-chromeno[2,3-b]pyridin-5-yl)-2-methyl-N-[4-[(4-pyridin-4-ylphenyl)methyl]-1,3-thiazol-2-yl]propanamide (PubChem CID 24956107) has the molecular formula C31H26N4O2S and a molecular weight of 518.64 g/mol. Its IUPAC name is 2-(5H-chromeno[2,3-b]pyridin-5-yl)-2-methyl-N-[4-[(4-pyridin-4-ylphenyl)methyl]-1,3-thiazol-2-yl]propanamide.

Molecular Properties

Compound Name2-(5H-chromeno[2,3-b]pyridin-5-yl)-2-methyl-N-[4-[(4-pyridin-4-ylphenyl)methyl]-1,3-thiazol-2-yl]propanamide
PubChem CID24956107
Molecular FormulaC31H26N4O2S
Molecular Weight518.64 g/mol
Exact Mass518.18
IUPAC Name2-(5H-chromeno[2,3-b]pyridin-5-yl)-2-methyl-N-[4-[(4-pyridin-4-ylphenyl)methyl]-1,3-thiazol-2-yl]propanamide
SMILESCC(C)(C(=O)Nc1nc(Cc2ccc(-c3ccncc3)cc2)cs1)C1c2ccccc2Oc2ncccc21
InChIInChI=1S/C31H26N4O2S/c1-31(2,27-24-6-3-4-8-26(24)37-28-25(27)7-5-15-33-28)29(36)35-30-34-23(19-38-30)18-20-9-11-21(12-10-20)22-13-16-32-17-14-22/h3-17,19,27H,18H2,1-2H3,(H,34,35,36)
InChIKeySAMNMNOGPNFMRB-UHFFFAOYSA-N
XLogP7.09
TPSA77.00 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds6
Heavy Atoms38
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500518.64
LogP ≤ 57.09
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

Analyze 2-(5H-chromeno[2,3-b]pyridin-5-yl)-2-methyl-N-[4-[(4-pyridin-4-ylphenyl)methyl]-1,3-thiazol-2-yl]propanamide 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 2-(5H-chromeno[2,3-b]pyridin-5-yl)-2-methyl-N-[4-[(4-pyridin-4-ylphenyl)methyl]-1,3-thiazol-2-yl]propanamide?
The IUPAC name of 2-(5H-chromeno[2,3-b]pyridin-5-yl)-2-methyl-N-[4-[(4-pyridin-4-ylphenyl)methyl]-1,3-thiazol-2-yl]propanamide (CID 24956107) is 2-(5H-chromeno[2,3-b]pyridin-5-yl)-2-methyl-N-[4-[(4-pyridin-4-ylphenyl)methyl]-1,3-thiazol-2-yl]propanamide.
What is the SMILES notation for 2-(5H-chromeno[2,3-b]pyridin-5-yl)-2-methyl-N-[4-[(4-pyridin-4-ylphenyl)methyl]-1,3-thiazol-2-yl]propanamide?
The canonical SMILES for 2-(5H-chromeno[2,3-b]pyridin-5-yl)-2-methyl-N-[4-[(4-pyridin-4-ylphenyl)methyl]-1,3-thiazol-2-yl]propanamide is CC(C)(C(=O)Nc1nc(Cc2ccc(-c3ccncc3)cc2)cs1)C1c2ccccc2Oc2ncccc21.
What is the InChIKey of 2-(5H-chromeno[2,3-b]pyridin-5-yl)-2-methyl-N-[4-[(4-pyridin-4-ylphenyl)methyl]-1,3-thiazol-2-yl]propanamide?
The InChIKey is SAMNMNOGPNFMRB-UHFFFAOYSA-N. The full InChI is InChI=1S/C31H26N4O2S/c1-31(2,27-24-6-3-4-8-26(24)37-28-25(27)7-5-15-33-28)29(36)35-30-34-23(19-38-30)18-20-9-11-21(12-10-20)22-13-16-32-17-14-22/h3-17,19,27H,18H2,1-2H3,(H,34,35,36).
What are the key properties of 2-(5H-chromeno[2,3-b]pyridin-5-yl)-2-methyl-N-[4-[(4-pyridin-4-ylphenyl)methyl]-1,3-thiazol-2-yl]propanamide?
2-(5H-chromeno[2,3-b]pyridin-5-yl)-2-methyl-N-[4-[(4-pyridin-4-ylphenyl)methyl]-1,3-thiazol-2-yl]propanamide has a molecular weight of 518.64 g/mol, XLogP of 7.09, 6 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(5H-chromeno[2,3-b]pyridin-5-yl)-2-methyl-N-[4-[(4-pyridin-4-ylphenyl)methyl]-1,3-thiazol-2-yl]propanamide is sourced from PubChem (CID 24956107), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).