4-[2-[3-[5-(1H-imidazol-2-yl)-4-phenyl-1,3-thiazol-2-yl]-2-methylpyrazolo[1,5-a]pyridin-5-yl]oxyethyl]morpholine

C26H26N6O2S — CID 118258031

IUPAC4-[2-[3-[5-(1H-imidazol-2-yl)-4-phenyl-1,3-thiazol-2-yl]-2-methylpyrazolo[1,5-a]pyridin-5-yl]oxyethyl]morpholine
SMILESCc1nn2ccc(OCCN3CCOCC3)cc2c1-c1nc(-c2ccccc2)c(-c2ncc[nH]2)s1
InChIInChI=1S/C26H26N6O2S/c1-18-22(21-17-20(7-10-32(21)30-18)34-16-13-31-11-14-33-15-12-31)26-29-23(19-5-3-2-4-6-19)24(35-26)25-27-8-9-28-25/h2-10,17H,11-16H2,1H3,(H,27,28)
InChIKeySWTOTUUGEIAHOL-UHFFFAOYSA-N
MW486.60 g/mol
LogP4.53
Rot. Bonds7

About 4-[2-[3-[5-(1H-imidazol-2-yl)-4-phenyl-1,3-thiazol-2-yl]-2-methylpyrazolo[1,5-a]pyridin-5-yl]oxyethyl]morpholine

4-[2-[3-[5-(1H-imidazol-2-yl)-4-phenyl-1,3-thiazol-2-yl]-2-methylpyrazolo[1,5-a]pyridin-5-yl]oxyethyl]morpholine (PubChem CID 118258031) has the molecular formula C26H26N6O2S and a molecular weight of 486.60 g/mol. Its IUPAC name is 4-[2-[3-[5-(1H-imidazol-2-yl)-4-phenyl-1,3-thiazol-2-yl]-2-methylpyrazolo[1,5-a]pyridin-5-yl]oxyethyl]morpholine.

Molecular Properties

Compound Name4-[2-[3-[5-(1H-imidazol-2-yl)-4-phenyl-1,3-thiazol-2-yl]-2-methylpyrazolo[1,5-a]pyridin-5-yl]oxyethyl]morpholine
PubChem CID118258031
Molecular FormulaC26H26N6O2S
Molecular Weight486.60 g/mol
Exact Mass486.18
IUPAC Name4-[2-[3-[5-(1H-imidazol-2-yl)-4-phenyl-1,3-thiazol-2-yl]-2-methylpyrazolo[1,5-a]pyridin-5-yl]oxyethyl]morpholine
SMILESCc1nn2ccc(OCCN3CCOCC3)cc2c1-c1nc(-c2ccccc2)c(-c2ncc[nH]2)s1
InChIInChI=1S/C26H26N6O2S/c1-18-22(21-17-20(7-10-32(21)30-18)34-16-13-31-11-14-33-15-12-31)26-29-23(19-5-3-2-4-6-19)24(35-26)25-27-8-9-28-25/h2-10,17H,11-16H2,1H3,(H,27,28)
InChIKeySWTOTUUGEIAHOL-UHFFFAOYSA-N
XLogP4.53
TPSA80.57 Ų
H-Bond Donors1
H-Bond Acceptors8
Rotatable Bonds7
Heavy Atoms35
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500486.60
LogP ≤ 54.53
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 108

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Frequently Asked Questions

What is the IUPAC name of 4-[2-[3-[5-(1H-imidazol-2-yl)-4-phenyl-1,3-thiazol-2-yl]-2-methylpyrazolo[1,5-a]pyridin-5-yl]oxyethyl]morpholine?
The IUPAC name of 4-[2-[3-[5-(1H-imidazol-2-yl)-4-phenyl-1,3-thiazol-2-yl]-2-methylpyrazolo[1,5-a]pyridin-5-yl]oxyethyl]morpholine (CID 118258031) is 4-[2-[3-[5-(1H-imidazol-2-yl)-4-phenyl-1,3-thiazol-2-yl]-2-methylpyrazolo[1,5-a]pyridin-5-yl]oxyethyl]morpholine.
What is the SMILES notation for 4-[2-[3-[5-(1H-imidazol-2-yl)-4-phenyl-1,3-thiazol-2-yl]-2-methylpyrazolo[1,5-a]pyridin-5-yl]oxyethyl]morpholine?
The canonical SMILES for 4-[2-[3-[5-(1H-imidazol-2-yl)-4-phenyl-1,3-thiazol-2-yl]-2-methylpyrazolo[1,5-a]pyridin-5-yl]oxyethyl]morpholine is Cc1nn2ccc(OCCN3CCOCC3)cc2c1-c1nc(-c2ccccc2)c(-c2ncc[nH]2)s1.
What is the InChIKey of 4-[2-[3-[5-(1H-imidazol-2-yl)-4-phenyl-1,3-thiazol-2-yl]-2-methylpyrazolo[1,5-a]pyridin-5-yl]oxyethyl]morpholine?
The InChIKey is SWTOTUUGEIAHOL-UHFFFAOYSA-N. The full InChI is InChI=1S/C26H26N6O2S/c1-18-22(21-17-20(7-10-32(21)30-18)34-16-13-31-11-14-33-15-12-31)26-29-23(19-5-3-2-4-6-19)24(35-26)25-27-8-9-28-25/h2-10,17H,11-16H2,1H3,(H,27,28).
What are the key properties of 4-[2-[3-[5-(1H-imidazol-2-yl)-4-phenyl-1,3-thiazol-2-yl]-2-methylpyrazolo[1,5-a]pyridin-5-yl]oxyethyl]morpholine?
4-[2-[3-[5-(1H-imidazol-2-yl)-4-phenyl-1,3-thiazol-2-yl]-2-methylpyrazolo[1,5-a]pyridin-5-yl]oxyethyl]morpholine has a molecular weight of 486.60 g/mol, XLogP of 4.53, 7 rotatable bonds, 1 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[2-[3-[5-(1H-imidazol-2-yl)-4-phenyl-1,3-thiazol-2-yl]-2-methylpyrazolo[1,5-a]pyridin-5-yl]oxyethyl]morpholine is sourced from PubChem (CID 118258031), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).