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

C32H28N4O3S — CID 24951472

IUPAC2-(2-methoxy-5H-chromeno[2,3-b]pyridin-5-yl)-2-methyl-N-[4-[(4-pyridin-4-ylphenyl)methyl]-1,3-thiazol-2-yl]propanamide
SMILESCOc1ccc2c(n1)Oc1ccccc1C2C(C)(C)C(=O)Nc1nc(Cc2ccc(-c3ccncc3)cc2)cs1
InChIInChI=1S/C32H28N4O3S/c1-32(2,28-24-6-4-5-7-26(24)39-29-25(28)12-13-27(35-29)38-3)30(37)36-31-34-23(19-40-31)18-20-8-10-21(11-9-20)22-14-16-33-17-15-22/h4-17,19,28H,18H2,1-3H3,(H,34,36,37)
InChIKeyMQRWFRUCRDDTPL-UHFFFAOYSA-N
MW548.67 g/mol
LogP7.10
Rot. Bonds7

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

2-(2-methoxy-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 24951472) has the molecular formula C32H28N4O3S and a molecular weight of 548.67 g/mol. Its IUPAC name is 2-(2-methoxy-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-(2-methoxy-5H-chromeno[2,3-b]pyridin-5-yl)-2-methyl-N-[4-[(4-pyridin-4-ylphenyl)methyl]-1,3-thiazol-2-yl]propanamide
PubChem CID24951472
Molecular FormulaC32H28N4O3S
Molecular Weight548.67 g/mol
Exact Mass548.19
IUPAC Name2-(2-methoxy-5H-chromeno[2,3-b]pyridin-5-yl)-2-methyl-N-[4-[(4-pyridin-4-ylphenyl)methyl]-1,3-thiazol-2-yl]propanamide
SMILESCOc1ccc2c(n1)Oc1ccccc1C2C(C)(C)C(=O)Nc1nc(Cc2ccc(-c3ccncc3)cc2)cs1
InChIInChI=1S/C32H28N4O3S/c1-32(2,28-24-6-4-5-7-26(24)39-29-25(28)12-13-27(35-29)38-3)30(37)36-31-34-23(19-40-31)18-20-8-10-21(11-9-20)22-14-16-33-17-15-22/h4-17,19,28H,18H2,1-3H3,(H,34,36,37)
InChIKeyMQRWFRUCRDDTPL-UHFFFAOYSA-N
XLogP7.10
TPSA86.23 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds7
Heavy Atoms40
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500548.67
LogP ≤ 57.10
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

Analyze 2-(2-methoxy-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

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Frequently Asked Questions

What is the IUPAC name of 2-(2-methoxy-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-(2-methoxy-5H-chromeno[2,3-b]pyridin-5-yl)-2-methyl-N-[4-[(4-pyridin-4-ylphenyl)methyl]-1,3-thiazol-2-yl]propanamide (CID 24951472) is 2-(2-methoxy-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-(2-methoxy-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-(2-methoxy-5H-chromeno[2,3-b]pyridin-5-yl)-2-methyl-N-[4-[(4-pyridin-4-ylphenyl)methyl]-1,3-thiazol-2-yl]propanamide is COc1ccc2c(n1)Oc1ccccc1C2C(C)(C)C(=O)Nc1nc(Cc2ccc(-c3ccncc3)cc2)cs1.
What is the InChIKey of 2-(2-methoxy-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 MQRWFRUCRDDTPL-UHFFFAOYSA-N. The full InChI is InChI=1S/C32H28N4O3S/c1-32(2,28-24-6-4-5-7-26(24)39-29-25(28)12-13-27(35-29)38-3)30(37)36-31-34-23(19-40-31)18-20-8-10-21(11-9-20)22-14-16-33-17-15-22/h4-17,19,28H,18H2,1-3H3,(H,34,36,37).
What are the key properties of 2-(2-methoxy-5H-chromeno[2,3-b]pyridin-5-yl)-2-methyl-N-[4-[(4-pyridin-4-ylphenyl)methyl]-1,3-thiazol-2-yl]propanamide?
2-(2-methoxy-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 548.67 g/mol, XLogP of 7.10, 7 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(2-methoxy-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 24951472), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).