N-[7-[2-[2-[[7-ethoxy-2-(oxan-4-yl)imidazo[1,2-a]pyridin-6-yl]carbamoyl]-6-methyl-3-pyridinyl]ethoxy]-2-(oxan-4-yl)imidazo[1,2-a]pyridin-6-yl]-2-methyl-1,3-thiazole-4-carboxamide

C40H44N8O6S — CID 154655975

IUPACN-[7-[2-[2-[[7-ethoxy-2-(oxan-4-yl)imidazo[1,2-a]pyridin-6-yl]carbamoyl]-6-methyl-3-pyridinyl]ethoxy]-2-(oxan-4-yl)imidazo[1,2-a]pyridin-6-yl]-2-methyl-1,3-thiazole-4-carboxamide
SMILESCCOc1cc2nc(C3CCOCC3)cn2cc1NC(=O)c1nc(C)ccc1CCOc1cc2nc(C3CCOCC3)cn2cc1NC(=O)c1csc(C)n1
InChIInChI=1S/C40H44N8O6S/c1-4-53-34-17-36-43-29(26-7-12-51-13-8-26)19-47(36)21-31(34)46-40(50)38-28(6-5-24(2)41-38)11-16-54-35-18-37-44-30(27-9-14-52-15-10-27)20-48(37)22-32(35)45-39(49)33-23-55-25(3)42-33/h5-6,17-23,26-27H,4,7-16H2,1-3H3,(H,45,49)(H,46,50)
InChIKeyJZXRSDUSHXTFPH-UHFFFAOYSA-N
MW764.91 g/mol
LogP6.76
Rot. Bonds12

About N-[7-[2-[2-[[7-ethoxy-2-(oxan-4-yl)imidazo[1,2-a]pyridin-6-yl]carbamoyl]-6-methyl-3-pyridinyl]ethoxy]-2-(oxan-4-yl)imidazo[1,2-a]pyridin-6-yl]-2-methyl-1,3-thiazole-4-carboxamide

N-[7-[2-[2-[[7-ethoxy-2-(oxan-4-yl)imidazo[1,2-a]pyridin-6-yl]carbamoyl]-6-methyl-3-pyridinyl]ethoxy]-2-(oxan-4-yl)imidazo[1,2-a]pyridin-6-yl]-2-methyl-1,3-thiazole-4-carboxamide (PubChem CID 154655975) has the molecular formula C40H44N8O6S and a molecular weight of 764.91 g/mol. Its IUPAC name is N-[7-[2-[2-[[7-ethoxy-2-(oxan-4-yl)imidazo[1,2-a]pyridin-6-yl]carbamoyl]-6-methyl-3-pyridinyl]ethoxy]-2-(oxan-4-yl)imidazo[1,2-a]pyridin-6-yl]-2-methyl-1,3-thiazole-4-carboxamide.

Molecular Properties

Compound NameN-[7-[2-[2-[[7-ethoxy-2-(oxan-4-yl)imidazo[1,2-a]pyridin-6-yl]carbamoyl]-6-methyl-3-pyridinyl]ethoxy]-2-(oxan-4-yl)imidazo[1,2-a]pyridin-6-yl]-2-methyl-1,3-thiazole-4-carboxamide
PubChem CID154655975
Molecular FormulaC40H44N8O6S
Molecular Weight764.91 g/mol
Exact Mass764.31
IUPAC NameN-[7-[2-[2-[[7-ethoxy-2-(oxan-4-yl)imidazo[1,2-a]pyridin-6-yl]carbamoyl]-6-methyl-3-pyridinyl]ethoxy]-2-(oxan-4-yl)imidazo[1,2-a]pyridin-6-yl]-2-methyl-1,3-thiazole-4-carboxamide
SMILESCCOc1cc2nc(C3CCOCC3)cn2cc1NC(=O)c1nc(C)ccc1CCOc1cc2nc(C3CCOCC3)cn2cc1NC(=O)c1csc(C)n1
InChIInChI=1S/C40H44N8O6S/c1-4-53-34-17-36-43-29(26-7-12-51-13-8-26)19-47(36)21-31(34)46-40(50)38-28(6-5-24(2)41-38)11-16-54-35-18-37-44-30(27-9-14-52-15-10-27)20-48(37)22-32(35)45-39(49)33-23-55-25(3)42-33/h5-6,17-23,26-27H,4,7-16H2,1-3H3,(H,45,49)(H,46,50)
InChIKeyJZXRSDUSHXTFPH-UHFFFAOYSA-N
XLogP6.76
TPSA155.50 Ų
H-Bond Donors2
H-Bond Acceptors13
Rotatable Bonds12
Heavy Atoms55
Complexity—

Lipinski Rule of Five

3 violations

RuleValue
MW ≤ 500764.91
LogP ≤ 56.76
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 1013

Analyze N-[7-[2-[2-[[7-ethoxy-2-(oxan-4-yl)imidazo[1,2-a]pyridin-6-yl]carbamoyl]-6-methyl-3-pyridinyl]ethoxy]-2-(oxan-4-yl)imidazo[1,2-a]pyridin-6-yl]-2-methyl-1,3-thiazole-4-carboxamide with MolForge

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Frequently Asked Questions

What is the IUPAC name of N-[7-[2-[2-[[7-ethoxy-2-(oxan-4-yl)imidazo[1,2-a]pyridin-6-yl]carbamoyl]-6-methyl-3-pyridinyl]ethoxy]-2-(oxan-4-yl)imidazo[1,2-a]pyridin-6-yl]-2-methyl-1,3-thiazole-4-carboxamide?
The IUPAC name of N-[7-[2-[2-[[7-ethoxy-2-(oxan-4-yl)imidazo[1,2-a]pyridin-6-yl]carbamoyl]-6-methyl-3-pyridinyl]ethoxy]-2-(oxan-4-yl)imidazo[1,2-a]pyridin-6-yl]-2-methyl-1,3-thiazole-4-carboxamide (CID 154655975) is N-[7-[2-[2-[[7-ethoxy-2-(oxan-4-yl)imidazo[1,2-a]pyridin-6-yl]carbamoyl]-6-methyl-3-pyridinyl]ethoxy]-2-(oxan-4-yl)imidazo[1,2-a]pyridin-6-yl]-2-methyl-1,3-thiazole-4-carboxamide.
What is the SMILES notation for N-[7-[2-[2-[[7-ethoxy-2-(oxan-4-yl)imidazo[1,2-a]pyridin-6-yl]carbamoyl]-6-methyl-3-pyridinyl]ethoxy]-2-(oxan-4-yl)imidazo[1,2-a]pyridin-6-yl]-2-methyl-1,3-thiazole-4-carboxamide?
The canonical SMILES for N-[7-[2-[2-[[7-ethoxy-2-(oxan-4-yl)imidazo[1,2-a]pyridin-6-yl]carbamoyl]-6-methyl-3-pyridinyl]ethoxy]-2-(oxan-4-yl)imidazo[1,2-a]pyridin-6-yl]-2-methyl-1,3-thiazole-4-carboxamide is CCOc1cc2nc(C3CCOCC3)cn2cc1NC(=O)c1nc(C)ccc1CCOc1cc2nc(C3CCOCC3)cn2cc1NC(=O)c1csc(C)n1.
What is the InChIKey of N-[7-[2-[2-[[7-ethoxy-2-(oxan-4-yl)imidazo[1,2-a]pyridin-6-yl]carbamoyl]-6-methyl-3-pyridinyl]ethoxy]-2-(oxan-4-yl)imidazo[1,2-a]pyridin-6-yl]-2-methyl-1,3-thiazole-4-carboxamide?
The InChIKey is JZXRSDUSHXTFPH-UHFFFAOYSA-N. The full InChI is InChI=1S/C40H44N8O6S/c1-4-53-34-17-36-43-29(26-7-12-51-13-8-26)19-47(36)21-31(34)46-40(50)38-28(6-5-24(2)41-38)11-16-54-35-18-37-44-30(27-9-14-52-15-10-27)20-48(37)22-32(35)45-39(49)33-23-55-25(3)42-33/h5-6,17-23,26-27H,4,7-16H2,1-3H3,(H,45,49)(H,46,50).
What are the key properties of N-[7-[2-[2-[[7-ethoxy-2-(oxan-4-yl)imidazo[1,2-a]pyridin-6-yl]carbamoyl]-6-methyl-3-pyridinyl]ethoxy]-2-(oxan-4-yl)imidazo[1,2-a]pyridin-6-yl]-2-methyl-1,3-thiazole-4-carboxamide?
N-[7-[2-[2-[[7-ethoxy-2-(oxan-4-yl)imidazo[1,2-a]pyridin-6-yl]carbamoyl]-6-methyl-3-pyridinyl]ethoxy]-2-(oxan-4-yl)imidazo[1,2-a]pyridin-6-yl]-2-methyl-1,3-thiazole-4-carboxamide has a molecular weight of 764.91 g/mol, XLogP of 6.76, 12 rotatable bonds, 2 hydrogen bond donors, and 13 hydrogen bond acceptors.
Where does this data come from?
All data for N-[7-[2-[2-[[7-ethoxy-2-(oxan-4-yl)imidazo[1,2-a]pyridin-6-yl]carbamoyl]-6-methyl-3-pyridinyl]ethoxy]-2-(oxan-4-yl)imidazo[1,2-a]pyridin-6-yl]-2-methyl-1,3-thiazole-4-carboxamide is sourced from PubChem (CID 154655975), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).