4-[4-(1H-imidazo[4,5-b]pyridin-6-yl)phenyl]-N-[5-(2-methyl-1,3-thiazol-4-yl)-2-pyridinyl]oxane-4-carboxamide

C27H24N6O2S — CID 67987915

IUPAC4-[4-(1H-imidazo[4,5-b]pyridin-6-yl)phenyl]-N-[5-(2-methyl-1,3-thiazol-4-yl)-2-pyridinyl]oxane-4-carboxamide
SMILESCc1nc(-c2ccc(NC(=O)C3(c4ccc(-c5cnc6nc[nH]c6c5)cc4)CCOCC3)nc2)cs1
InChIInChI=1S/C27H24N6O2S/c1-17-32-23(15-36-17)19-4-7-24(28-13-19)33-26(34)27(8-10-35-11-9-27)21-5-2-18(3-6-21)20-12-22-25(29-14-20)31-16-30-22/h2-7,12-16H,8-11H2,1H3,(H,28,33,34)(H,29,30,31)
InChIKeyUGLHTFMDRWDJSS-UHFFFAOYSA-N
MW496.60 g/mol
LogP5.14
Rot. Bonds5

About 4-[4-(1H-imidazo[4,5-b]pyridin-6-yl)phenyl]-N-[5-(2-methyl-1,3-thiazol-4-yl)-2-pyridinyl]oxane-4-carboxamide

4-[4-(1H-imidazo[4,5-b]pyridin-6-yl)phenyl]-N-[5-(2-methyl-1,3-thiazol-4-yl)-2-pyridinyl]oxane-4-carboxamide (PubChem CID 67987915) has the molecular formula C27H24N6O2S and a molecular weight of 496.60 g/mol. Its IUPAC name is 4-[4-(1H-imidazo[4,5-b]pyridin-6-yl)phenyl]-N-[5-(2-methyl-1,3-thiazol-4-yl)-2-pyridinyl]oxane-4-carboxamide.

Molecular Properties

Compound Name4-[4-(1H-imidazo[4,5-b]pyridin-6-yl)phenyl]-N-[5-(2-methyl-1,3-thiazol-4-yl)-2-pyridinyl]oxane-4-carboxamide
PubChem CID67987915
Molecular FormulaC27H24N6O2S
Molecular Weight496.60 g/mol
Exact Mass496.17
IUPAC Name4-[4-(1H-imidazo[4,5-b]pyridin-6-yl)phenyl]-N-[5-(2-methyl-1,3-thiazol-4-yl)-2-pyridinyl]oxane-4-carboxamide
SMILESCc1nc(-c2ccc(NC(=O)C3(c4ccc(-c5cnc6nc[nH]c6c5)cc4)CCOCC3)nc2)cs1
InChIInChI=1S/C27H24N6O2S/c1-17-32-23(15-36-17)19-4-7-24(28-13-19)33-26(34)27(8-10-35-11-9-27)21-5-2-18(3-6-21)20-12-22-25(29-14-20)31-16-30-22/h2-7,12-16H,8-11H2,1H3,(H,28,33,34)(H,29,30,31)
InChIKeyUGLHTFMDRWDJSS-UHFFFAOYSA-N
XLogP5.14
TPSA105.68 Ų
H-Bond Donors2
H-Bond Acceptors7
Rotatable Bonds5
Heavy Atoms36
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500496.60
LogP ≤ 55.14
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 107

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Frequently Asked Questions

What is the IUPAC name of 4-[4-(1H-imidazo[4,5-b]pyridin-6-yl)phenyl]-N-[5-(2-methyl-1,3-thiazol-4-yl)-2-pyridinyl]oxane-4-carboxamide?
The IUPAC name of 4-[4-(1H-imidazo[4,5-b]pyridin-6-yl)phenyl]-N-[5-(2-methyl-1,3-thiazol-4-yl)-2-pyridinyl]oxane-4-carboxamide (CID 67987915) is 4-[4-(1H-imidazo[4,5-b]pyridin-6-yl)phenyl]-N-[5-(2-methyl-1,3-thiazol-4-yl)-2-pyridinyl]oxane-4-carboxamide.
What is the SMILES notation for 4-[4-(1H-imidazo[4,5-b]pyridin-6-yl)phenyl]-N-[5-(2-methyl-1,3-thiazol-4-yl)-2-pyridinyl]oxane-4-carboxamide?
The canonical SMILES for 4-[4-(1H-imidazo[4,5-b]pyridin-6-yl)phenyl]-N-[5-(2-methyl-1,3-thiazol-4-yl)-2-pyridinyl]oxane-4-carboxamide is Cc1nc(-c2ccc(NC(=O)C3(c4ccc(-c5cnc6nc[nH]c6c5)cc4)CCOCC3)nc2)cs1.
What is the InChIKey of 4-[4-(1H-imidazo[4,5-b]pyridin-6-yl)phenyl]-N-[5-(2-methyl-1,3-thiazol-4-yl)-2-pyridinyl]oxane-4-carboxamide?
The InChIKey is UGLHTFMDRWDJSS-UHFFFAOYSA-N. The full InChI is InChI=1S/C27H24N6O2S/c1-17-32-23(15-36-17)19-4-7-24(28-13-19)33-26(34)27(8-10-35-11-9-27)21-5-2-18(3-6-21)20-12-22-25(29-14-20)31-16-30-22/h2-7,12-16H,8-11H2,1H3,(H,28,33,34)(H,29,30,31).
What are the key properties of 4-[4-(1H-imidazo[4,5-b]pyridin-6-yl)phenyl]-N-[5-(2-methyl-1,3-thiazol-4-yl)-2-pyridinyl]oxane-4-carboxamide?
4-[4-(1H-imidazo[4,5-b]pyridin-6-yl)phenyl]-N-[5-(2-methyl-1,3-thiazol-4-yl)-2-pyridinyl]oxane-4-carboxamide has a molecular weight of 496.60 g/mol, XLogP of 5.14, 5 rotatable bonds, 2 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[4-(1H-imidazo[4,5-b]pyridin-6-yl)phenyl]-N-[5-(2-methyl-1,3-thiazol-4-yl)-2-pyridinyl]oxane-4-carboxamide is sourced from PubChem (CID 67987915), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).