N-(4-chloro-3-methylphenyl)-5-[2-(4-chlorophenyl)imidazo[1,2-a]pyridin-3-yl]pyridin-2-amine;formamide

C26H21Cl2N5O — CID 155716236

IUPACN-(4-chloro-3-methylphenyl)-5-[2-(4-chlorophenyl)imidazo[1,2-a]pyridin-3-yl]pyridin-2-amine;formamide
SMILESCc1cc(Nc2ccc(-c3c(-c4ccc(Cl)cc4)nc4ccccn34)cn2)ccc1Cl.NC=O
InChIInChI=1S/C25H18Cl2N4.CH3NO/c1-16-14-20(10-11-21(16)27)29-22-12-7-18(15-28-22)25-24(17-5-8-19(26)9-6-17)30-23-4-2-3-13-31(23)25;2-1-3/h2-15H,1H3,(H,28,29);1H,(H2,2,3)
InChIKeyXXUPUDYREGJSKK-UHFFFAOYSA-N
MW490.39 g/mol
LogP6.52
Rot. Bonds4

About N-(4-chloro-3-methylphenyl)-5-[2-(4-chlorophenyl)imidazo[1,2-a]pyridin-3-yl]pyridin-2-amine;formamide

N-(4-chloro-3-methylphenyl)-5-[2-(4-chlorophenyl)imidazo[1,2-a]pyridin-3-yl]pyridin-2-amine;formamide (PubChem CID 155716236) has the molecular formula C26H21Cl2N5O and a molecular weight of 490.39 g/mol. Its IUPAC name is N-(4-chloro-3-methylphenyl)-5-[2-(4-chlorophenyl)imidazo[1,2-a]pyridin-3-yl]pyridin-2-amine;formamide.

Molecular Properties

Compound NameN-(4-chloro-3-methylphenyl)-5-[2-(4-chlorophenyl)imidazo[1,2-a]pyridin-3-yl]pyridin-2-amine;formamide
PubChem CID155716236
Molecular FormulaC26H21Cl2N5O
Molecular Weight490.39 g/mol
Exact Mass489.11
IUPAC NameN-(4-chloro-3-methylphenyl)-5-[2-(4-chlorophenyl)imidazo[1,2-a]pyridin-3-yl]pyridin-2-amine;formamide
SMILESCc1cc(Nc2ccc(-c3c(-c4ccc(Cl)cc4)nc4ccccn34)cn2)ccc1Cl.NC=O
InChIInChI=1S/C25H18Cl2N4.CH3NO/c1-16-14-20(10-11-21(16)27)29-22-12-7-18(15-28-22)25-24(17-5-8-19(26)9-6-17)30-23-4-2-3-13-31(23)25;2-1-3/h2-15H,1H3,(H,28,29);1H,(H2,2,3)
InChIKeyXXUPUDYREGJSKK-UHFFFAOYSA-N
XLogP6.52
TPSA85.31 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms34
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500490.39
LogP ≤ 56.52
H-Bond Donors ≤ 52
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 N-(4-chloro-3-methylphenyl)-5-[2-(4-chlorophenyl)imidazo[1,2-a]pyridin-3-yl]pyridin-2-amine;formamide?
The IUPAC name of N-(4-chloro-3-methylphenyl)-5-[2-(4-chlorophenyl)imidazo[1,2-a]pyridin-3-yl]pyridin-2-amine;formamide (CID 155716236) is N-(4-chloro-3-methylphenyl)-5-[2-(4-chlorophenyl)imidazo[1,2-a]pyridin-3-yl]pyridin-2-amine;formamide.
What is the SMILES notation for N-(4-chloro-3-methylphenyl)-5-[2-(4-chlorophenyl)imidazo[1,2-a]pyridin-3-yl]pyridin-2-amine;formamide?
The canonical SMILES for N-(4-chloro-3-methylphenyl)-5-[2-(4-chlorophenyl)imidazo[1,2-a]pyridin-3-yl]pyridin-2-amine;formamide is Cc1cc(Nc2ccc(-c3c(-c4ccc(Cl)cc4)nc4ccccn34)cn2)ccc1Cl.NC=O.
What is the InChIKey of N-(4-chloro-3-methylphenyl)-5-[2-(4-chlorophenyl)imidazo[1,2-a]pyridin-3-yl]pyridin-2-amine;formamide?
The InChIKey is XXUPUDYREGJSKK-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H18Cl2N4.CH3NO/c1-16-14-20(10-11-21(16)27)29-22-12-7-18(15-28-22)25-24(17-5-8-19(26)9-6-17)30-23-4-2-3-13-31(23)25;2-1-3/h2-15H,1H3,(H,28,29);1H,(H2,2,3).
What are the key properties of N-(4-chloro-3-methylphenyl)-5-[2-(4-chlorophenyl)imidazo[1,2-a]pyridin-3-yl]pyridin-2-amine;formamide?
N-(4-chloro-3-methylphenyl)-5-[2-(4-chlorophenyl)imidazo[1,2-a]pyridin-3-yl]pyridin-2-amine;formamide has a molecular weight of 490.39 g/mol, XLogP of 6.52, 4 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-(4-chloro-3-methylphenyl)-5-[2-(4-chlorophenyl)imidazo[1,2-a]pyridin-3-yl]pyridin-2-amine;formamide is sourced from PubChem (CID 155716236), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).