7-[6-(3-chloro-4-pyridinyl)-2-hydroxy-8,9-dihydro-7H-benzo[7]annulen-5-yl]imidazo[1,2-a]pyridine-2-carbaldehyde

C24H18ClN3O2 — CID 177232524

IUPAC7-[6-(3-chloro-4-pyridinyl)-2-hydroxy-8,9-dihydro-7H-benzo[7]annulen-5-yl]imidazo[1,2-a]pyridine-2-carbaldehyde
SMILESO=Cc1cn2ccc(C3=C(c4ccncc4Cl)CCCc4cc(O)ccc43)cc2n1
InChIInChI=1S/C24H18ClN3O2/c25-22-12-26-8-6-20(22)21-3-1-2-15-10-18(30)4-5-19(15)24(21)16-7-9-28-13-17(14-29)27-23(28)11-16/h4-14,30H,1-3H2
InChIKeyLSAYJDQNZXGCPP-UHFFFAOYSA-N
MW415.88 g/mol
LogP5.20
Rot. Bonds3

About 7-[6-(3-chloro-4-pyridinyl)-2-hydroxy-8,9-dihydro-7H-benzo[7]annulen-5-yl]imidazo[1,2-a]pyridine-2-carbaldehyde

7-[6-(3-chloro-4-pyridinyl)-2-hydroxy-8,9-dihydro-7H-benzo[7]annulen-5-yl]imidazo[1,2-a]pyridine-2-carbaldehyde (PubChem CID 177232524) has the molecular formula C24H18ClN3O2 and a molecular weight of 415.88 g/mol. Its IUPAC name is 7-[6-(3-chloro-4-pyridinyl)-2-hydroxy-8,9-dihydro-7H-benzo[7]annulen-5-yl]imidazo[1,2-a]pyridine-2-carbaldehyde.

Molecular Properties

Compound Name7-[6-(3-chloro-4-pyridinyl)-2-hydroxy-8,9-dihydro-7H-benzo[7]annulen-5-yl]imidazo[1,2-a]pyridine-2-carbaldehyde
PubChem CID177232524
Molecular FormulaC24H18ClN3O2
Molecular Weight415.88 g/mol
Exact Mass415.11
IUPAC Name7-[6-(3-chloro-4-pyridinyl)-2-hydroxy-8,9-dihydro-7H-benzo[7]annulen-5-yl]imidazo[1,2-a]pyridine-2-carbaldehyde
SMILESO=Cc1cn2ccc(C3=C(c4ccncc4Cl)CCCc4cc(O)ccc43)cc2n1
InChIInChI=1S/C24H18ClN3O2/c25-22-12-26-8-6-20(22)21-3-1-2-15-10-18(30)4-5-19(15)24(21)16-7-9-28-13-17(14-29)27-23(28)11-16/h4-14,30H,1-3H2
InChIKeyLSAYJDQNZXGCPP-UHFFFAOYSA-N
XLogP5.20
TPSA67.49 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms30
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500415.88
LogP ≤ 55.20
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 7-[6-(3-chloro-4-pyridinyl)-2-hydroxy-8,9-dihydro-7H-benzo[7]annulen-5-yl]imidazo[1,2-a]pyridine-2-carbaldehyde?
The IUPAC name of 7-[6-(3-chloro-4-pyridinyl)-2-hydroxy-8,9-dihydro-7H-benzo[7]annulen-5-yl]imidazo[1,2-a]pyridine-2-carbaldehyde (CID 177232524) is 7-[6-(3-chloro-4-pyridinyl)-2-hydroxy-8,9-dihydro-7H-benzo[7]annulen-5-yl]imidazo[1,2-a]pyridine-2-carbaldehyde.
What is the SMILES notation for 7-[6-(3-chloro-4-pyridinyl)-2-hydroxy-8,9-dihydro-7H-benzo[7]annulen-5-yl]imidazo[1,2-a]pyridine-2-carbaldehyde?
The canonical SMILES for 7-[6-(3-chloro-4-pyridinyl)-2-hydroxy-8,9-dihydro-7H-benzo[7]annulen-5-yl]imidazo[1,2-a]pyridine-2-carbaldehyde is O=Cc1cn2ccc(C3=C(c4ccncc4Cl)CCCc4cc(O)ccc43)cc2n1.
What is the InChIKey of 7-[6-(3-chloro-4-pyridinyl)-2-hydroxy-8,9-dihydro-7H-benzo[7]annulen-5-yl]imidazo[1,2-a]pyridine-2-carbaldehyde?
The InChIKey is LSAYJDQNZXGCPP-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H18ClN3O2/c25-22-12-26-8-6-20(22)21-3-1-2-15-10-18(30)4-5-19(15)24(21)16-7-9-28-13-17(14-29)27-23(28)11-16/h4-14,30H,1-3H2.
What are the key properties of 7-[6-(3-chloro-4-pyridinyl)-2-hydroxy-8,9-dihydro-7H-benzo[7]annulen-5-yl]imidazo[1,2-a]pyridine-2-carbaldehyde?
7-[6-(3-chloro-4-pyridinyl)-2-hydroxy-8,9-dihydro-7H-benzo[7]annulen-5-yl]imidazo[1,2-a]pyridine-2-carbaldehyde has a molecular weight of 415.88 g/mol, XLogP of 5.20, 3 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 7-[6-(3-chloro-4-pyridinyl)-2-hydroxy-8,9-dihydro-7H-benzo[7]annulen-5-yl]imidazo[1,2-a]pyridine-2-carbaldehyde is sourced from PubChem (CID 177232524), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).