3-[6-[2-[4-(2-methyltriazol-4-yl)phenyl]ethyl]pyrimidin-4-yl]-7-(pyridin-2-ylmethoxy)imidazo[1,2-a]pyridine

C28H24N8O — CID 167538307

IUPAC3-[6-[2-[4-(2-methyltriazol-4-yl)phenyl]ethyl]pyrimidin-4-yl]-7-(pyridin-2-ylmethoxy)imidazo[1,2-a]pyridine
SMILESCn1ncc(-c2ccc(CCc3cc(-c4cnc5cc(OCc6ccccn6)ccn45)ncn3)cc2)n1
InChIInChI=1S/C28H24N8O/c1-35-33-16-26(34-35)21-8-5-20(6-9-21)7-10-22-14-25(32-19-31-22)27-17-30-28-15-24(11-13-36(27)28)37-18-23-4-2-3-12-29-23/h2-6,8-9,11-17,19H,7,10,18H2,1H3
InChIKeyAVNDMHWQEPKWPY-UHFFFAOYSA-N
MW488.56 g/mol
LogP4.35
Rot. Bonds8

About 3-[6-[2-[4-(2-methyltriazol-4-yl)phenyl]ethyl]pyrimidin-4-yl]-7-(pyridin-2-ylmethoxy)imidazo[1,2-a]pyridine

3-[6-[2-[4-(2-methyltriazol-4-yl)phenyl]ethyl]pyrimidin-4-yl]-7-(pyridin-2-ylmethoxy)imidazo[1,2-a]pyridine (PubChem CID 167538307) has the molecular formula C28H24N8O and a molecular weight of 488.56 g/mol. Its IUPAC name is 3-[6-[2-[4-(2-methyltriazol-4-yl)phenyl]ethyl]pyrimidin-4-yl]-7-(pyridin-2-ylmethoxy)imidazo[1,2-a]pyridine.

Molecular Properties

Compound Name3-[6-[2-[4-(2-methyltriazol-4-yl)phenyl]ethyl]pyrimidin-4-yl]-7-(pyridin-2-ylmethoxy)imidazo[1,2-a]pyridine
PubChem CID167538307
Molecular FormulaC28H24N8O
Molecular Weight488.56 g/mol
Exact Mass488.21
IUPAC Name3-[6-[2-[4-(2-methyltriazol-4-yl)phenyl]ethyl]pyrimidin-4-yl]-7-(pyridin-2-ylmethoxy)imidazo[1,2-a]pyridine
SMILESCn1ncc(-c2ccc(CCc3cc(-c4cnc5cc(OCc6ccccn6)ccn45)ncn3)cc2)n1
InChIInChI=1S/C28H24N8O/c1-35-33-16-26(34-35)21-8-5-20(6-9-21)7-10-22-14-25(32-19-31-22)27-17-30-28-15-24(11-13-36(27)28)37-18-23-4-2-3-12-29-23/h2-6,8-9,11-17,19H,7,10,18H2,1H3
InChIKeyAVNDMHWQEPKWPY-UHFFFAOYSA-N
XLogP4.35
TPSA95.91 Ų
H-Bond Donors
H-Bond Acceptors9
Rotatable Bonds8
Heavy Atoms37
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500488.56
LogP ≤ 54.35
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 109

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Frequently Asked Questions

What is the IUPAC name of 3-[6-[2-[4-(2-methyltriazol-4-yl)phenyl]ethyl]pyrimidin-4-yl]-7-(pyridin-2-ylmethoxy)imidazo[1,2-a]pyridine?
The IUPAC name of 3-[6-[2-[4-(2-methyltriazol-4-yl)phenyl]ethyl]pyrimidin-4-yl]-7-(pyridin-2-ylmethoxy)imidazo[1,2-a]pyridine (CID 167538307) is 3-[6-[2-[4-(2-methyltriazol-4-yl)phenyl]ethyl]pyrimidin-4-yl]-7-(pyridin-2-ylmethoxy)imidazo[1,2-a]pyridine.
What is the SMILES notation for 3-[6-[2-[4-(2-methyltriazol-4-yl)phenyl]ethyl]pyrimidin-4-yl]-7-(pyridin-2-ylmethoxy)imidazo[1,2-a]pyridine?
The canonical SMILES for 3-[6-[2-[4-(2-methyltriazol-4-yl)phenyl]ethyl]pyrimidin-4-yl]-7-(pyridin-2-ylmethoxy)imidazo[1,2-a]pyridine is Cn1ncc(-c2ccc(CCc3cc(-c4cnc5cc(OCc6ccccn6)ccn45)ncn3)cc2)n1.
What is the InChIKey of 3-[6-[2-[4-(2-methyltriazol-4-yl)phenyl]ethyl]pyrimidin-4-yl]-7-(pyridin-2-ylmethoxy)imidazo[1,2-a]pyridine?
The InChIKey is AVNDMHWQEPKWPY-UHFFFAOYSA-N. The full InChI is InChI=1S/C28H24N8O/c1-35-33-16-26(34-35)21-8-5-20(6-9-21)7-10-22-14-25(32-19-31-22)27-17-30-28-15-24(11-13-36(27)28)37-18-23-4-2-3-12-29-23/h2-6,8-9,11-17,19H,7,10,18H2,1H3.
What are the key properties of 3-[6-[2-[4-(2-methyltriazol-4-yl)phenyl]ethyl]pyrimidin-4-yl]-7-(pyridin-2-ylmethoxy)imidazo[1,2-a]pyridine?
3-[6-[2-[4-(2-methyltriazol-4-yl)phenyl]ethyl]pyrimidin-4-yl]-7-(pyridin-2-ylmethoxy)imidazo[1,2-a]pyridine has a molecular weight of 488.56 g/mol, XLogP of 4.35, 8 rotatable bonds, 0 hydrogen bond donors, and 9 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[6-[2-[4-(2-methyltriazol-4-yl)phenyl]ethyl]pyrimidin-4-yl]-7-(pyridin-2-ylmethoxy)imidazo[1,2-a]pyridine is sourced from PubChem (CID 167538307), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).