8-hepta-1,3,5-trien-2-yl-2-[6-methoxy-5-(4-methylimidazol-1-yl)-2-pyridinyl]-8-methyl-6,7-dihydro-5H-[1,2,4]triazolo[1,5-a]pyridine

C24H28N6O — CID 90907408

IUPAC8-hepta-1,3,5-trien-2-yl-2-[6-methoxy-5-(4-methylimidazol-1-yl)-2-pyridinyl]-8-methyl-6,7-dihydro-5H-[1,2,4]triazolo[1,5-a]pyridine
SMILESC=C(C=CC=CC)C1(C)CCCn2nc(-c3ccc(-n4cnc(C)c4)c(OC)n3)nc21
InChIInChI=1S/C24H28N6O/c1-6-7-8-10-17(2)24(4)13-9-14-30-23(24)27-21(28-30)19-11-12-20(22(26-19)31-5)29-15-18(3)25-16-29/h6-8,10-12,15-16H,2,9,13-14H2,1,3-5H3
InChIKeyZBOZMQDNGUCJTE-UHFFFAOYSA-N
MW416.53 g/mol
LogP4.58
Rot. Bonds6

About 8-hepta-1,3,5-trien-2-yl-2-[6-methoxy-5-(4-methylimidazol-1-yl)-2-pyridinyl]-8-methyl-6,7-dihydro-5H-[1,2,4]triazolo[1,5-a]pyridine

8-hepta-1,3,5-trien-2-yl-2-[6-methoxy-5-(4-methylimidazol-1-yl)-2-pyridinyl]-8-methyl-6,7-dihydro-5H-[1,2,4]triazolo[1,5-a]pyridine (PubChem CID 90907408) has the molecular formula C24H28N6O and a molecular weight of 416.53 g/mol. Its IUPAC name is 8-hepta-1,3,5-trien-2-yl-2-[6-methoxy-5-(4-methylimidazol-1-yl)-2-pyridinyl]-8-methyl-6,7-dihydro-5H-[1,2,4]triazolo[1,5-a]pyridine.

Molecular Properties

Compound Name8-hepta-1,3,5-trien-2-yl-2-[6-methoxy-5-(4-methylimidazol-1-yl)-2-pyridinyl]-8-methyl-6,7-dihydro-5H-[1,2,4]triazolo[1,5-a]pyridine
PubChem CID90907408
Molecular FormulaC24H28N6O
Molecular Weight416.53 g/mol
Exact Mass416.23
IUPAC Name8-hepta-1,3,5-trien-2-yl-2-[6-methoxy-5-(4-methylimidazol-1-yl)-2-pyridinyl]-8-methyl-6,7-dihydro-5H-[1,2,4]triazolo[1,5-a]pyridine
SMILESC=C(C=CC=CC)C1(C)CCCn2nc(-c3ccc(-n4cnc(C)c4)c(OC)n3)nc21
InChIInChI=1S/C24H28N6O/c1-6-7-8-10-17(2)24(4)13-9-14-30-23(24)27-21(28-30)19-11-12-20(22(26-19)31-5)29-15-18(3)25-16-29/h6-8,10-12,15-16H,2,9,13-14H2,1,3-5H3
InChIKeyZBOZMQDNGUCJTE-UHFFFAOYSA-N
XLogP4.58
TPSA70.65 Ų
H-Bond Donors
H-Bond Acceptors7
Rotatable Bonds6
Heavy Atoms31
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500416.53
LogP ≤ 54.58
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 107

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'polyene', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 8-hepta-1,3,5-trien-2-yl-2-[6-methoxy-5-(4-methylimidazol-1-yl)-2-pyridinyl]-8-methyl-6,7-dihydro-5H-[1,2,4]triazolo[1,5-a]pyridine?
The IUPAC name of 8-hepta-1,3,5-trien-2-yl-2-[6-methoxy-5-(4-methylimidazol-1-yl)-2-pyridinyl]-8-methyl-6,7-dihydro-5H-[1,2,4]triazolo[1,5-a]pyridine (CID 90907408) is 8-hepta-1,3,5-trien-2-yl-2-[6-methoxy-5-(4-methylimidazol-1-yl)-2-pyridinyl]-8-methyl-6,7-dihydro-5H-[1,2,4]triazolo[1,5-a]pyridine.
What is the SMILES notation for 8-hepta-1,3,5-trien-2-yl-2-[6-methoxy-5-(4-methylimidazol-1-yl)-2-pyridinyl]-8-methyl-6,7-dihydro-5H-[1,2,4]triazolo[1,5-a]pyridine?
The canonical SMILES for 8-hepta-1,3,5-trien-2-yl-2-[6-methoxy-5-(4-methylimidazol-1-yl)-2-pyridinyl]-8-methyl-6,7-dihydro-5H-[1,2,4]triazolo[1,5-a]pyridine is C=C(C=CC=CC)C1(C)CCCn2nc(-c3ccc(-n4cnc(C)c4)c(OC)n3)nc21.
What is the InChIKey of 8-hepta-1,3,5-trien-2-yl-2-[6-methoxy-5-(4-methylimidazol-1-yl)-2-pyridinyl]-8-methyl-6,7-dihydro-5H-[1,2,4]triazolo[1,5-a]pyridine?
The InChIKey is ZBOZMQDNGUCJTE-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H28N6O/c1-6-7-8-10-17(2)24(4)13-9-14-30-23(24)27-21(28-30)19-11-12-20(22(26-19)31-5)29-15-18(3)25-16-29/h6-8,10-12,15-16H,2,9,13-14H2,1,3-5H3.
What are the key properties of 8-hepta-1,3,5-trien-2-yl-2-[6-methoxy-5-(4-methylimidazol-1-yl)-2-pyridinyl]-8-methyl-6,7-dihydro-5H-[1,2,4]triazolo[1,5-a]pyridine?
8-hepta-1,3,5-trien-2-yl-2-[6-methoxy-5-(4-methylimidazol-1-yl)-2-pyridinyl]-8-methyl-6,7-dihydro-5H-[1,2,4]triazolo[1,5-a]pyridine has a molecular weight of 416.53 g/mol, XLogP of 4.58, 6 rotatable bonds, 0 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 8-hepta-1,3,5-trien-2-yl-2-[6-methoxy-5-(4-methylimidazol-1-yl)-2-pyridinyl]-8-methyl-6,7-dihydro-5H-[1,2,4]triazolo[1,5-a]pyridine is sourced from PubChem (CID 90907408), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).