N-(4-imidazo[1,2-a]pyridin-2-ylphenyl)-10,10-dimethyl-N-phenyl-12,19-diazatetracyclo[9.8.0.02,7.013,18]nonadeca-1(19),2(7),3,5,11,13,15,17-octaen-5-amine

C38H31N5 — CID 70999897

About N-(4-imidazo[1,2-a]pyridin-2-ylphenyl)-10,10-dimethyl-N-phenyl-12,19-diazatetracyclo[9.8.0.02,7.013,18]nonadeca-1(19),2(7),3,5,11,13,15,17-octaen-5-amine

N-(4-imidazo[1,2-a]pyridin-2-ylphenyl)-10,10-dimethyl-N-phenyl-12,19-diazatetracyclo[9.8.0.02,7.013,18]nonadeca-1(19),2(7),3,5,11,13,15,17-octaen-5-amine (PubChem CID 70999897) has the molecular formula C38H31N5 and a molecular weight of 557.70 g/mol. Its IUPAC name is N-(4-imidazo[1,2-a]pyridin-2-ylphenyl)-10,10-dimethyl-N-phenyl-12,19-diazatetracyclo[9.8.0.02,7.013,18]nonadeca-1(19),2(7),3,5,11,13,15,17-octaen-5-amine.

Molecular Properties

• Compound Name: N-(4-imidazo[1,2-a]pyridin-2-ylphenyl)-10,10-dimethyl-N-phenyl-12,19-diazatetracyclo[9.8.0.02,7.013,18]nonadeca-1(19),2(7),3,5,11,13,15,17-octaen-5-amine
• PubChem CID: 70999897
• Molecular Formula: C38H31N5
• Molecular Weight: 557.70 g/mol
• Exact Mass: 557.26
• IUPAC Name: N-(4-imidazo[1,2-a]pyridin-2-ylphenyl)-10,10-dimethyl-N-phenyl-12,19-diazatetracyclo[9.8.0.02,7.013,18]nonadeca-1(19),2(7),3,5,11,13,15,17-octaen-5-amine
• SMILES: CC1(C)CCc2cc(N(c3ccccc3)c3ccc(-c4cn5ccccc5n4)cc3)ccc2-c2nc3ccccc3nc21
• InChI: InChI=1S/C38H31N5/c1-38(2)22-21-27-24-30(19-20-31(27)36-37(38)41-33-13-7-6-12-32(33)40-36)43(28-10-4-3-5-11-28)29-17-15-26(16-18-29)34-25-42-23-9-8-14-35(42)39-34/h3-20,23-25H,21-22H2,1-2H3
• InChIKey: JRDNUWSLYXUFQV-UHFFFAOYSA-N
• XLogP: 9.31
• TPSA: 46.32 Ų
• H-Bond Acceptors: 5
• Rotatable Bonds: 4
• Heavy Atoms: 43
• Complexity: —

Lipinski Rule of Five

2 violations

Rule	Value
MW ≤ 500	557.70
LogP ≤ 5	9.31
H-Bond Donors ≤ 5	0
H-Bond Acceptors ≤ 10	5

Frequently Asked Questions

What is the IUPAC name of N-(4-imidazo[1,2-a]pyridin-2-ylphenyl)-10,10-dimethyl-N-phenyl-12,19-diazatetracyclo[9.8.0.02,7.013,18]nonadeca-1(19),2(7),3,5,11,13,15,17-octaen-5-amine?

The IUPAC name of N-(4-imidazo[1,2-a]pyridin-2-ylphenyl)-10,10-dimethyl-N-phenyl-12,19-diazatetracyclo[9.8.0.02,7.013,18]nonadeca-1(19),2(7),3,5,11,13,15,17-octaen-5-amine (CID 70999897) is N-(4-imidazo[1,2-a]pyridin-2-ylphenyl)-10,10-dimethyl-N-phenyl-12,19-diazatetracyclo[9.8.0.02,7.013,18]nonadeca-1(19),2(7),3,5,11,13,15,17-octaen-5-amine.

What is the SMILES notation for N-(4-imidazo[1,2-a]pyridin-2-ylphenyl)-10,10-dimethyl-N-phenyl-12,19-diazatetracyclo[9.8.0.02,7.013,18]nonadeca-1(19),2(7),3,5,11,13,15,17-octaen-5-amine?

The canonical SMILES for N-(4-imidazo[1,2-a]pyridin-2-ylphenyl)-10,10-dimethyl-N-phenyl-12,19-diazatetracyclo[9.8.0.02,7.013,18]nonadeca-1(19),2(7),3,5,11,13,15,17-octaen-5-amine is CC1(C)CCc2cc(N(c3ccccc3)c3ccc(-c4cn5ccccc5n4)cc3)ccc2-c2nc3ccccc3nc21.

What is the InChIKey of N-(4-imidazo[1,2-a]pyridin-2-ylphenyl)-10,10-dimethyl-N-phenyl-12,19-diazatetracyclo[9.8.0.02,7.013,18]nonadeca-1(19),2(7),3,5,11,13,15,17-octaen-5-amine?

The InChIKey is JRDNUWSLYXUFQV-UHFFFAOYSA-N. The full InChI is InChI=1S/C38H31N5/c1-38(2)22-21-27-24-30(19-20-31(27)36-37(38)41-33-13-7-6-12-32(33)40-36)43(28-10-4-3-5-11-28)29-17-15-26(16-18-29)34-25-42-23-9-8-14-35(42)39-34/h3-20,23-25H,21-22H2,1-2H3.

What are the key properties of N-(4-imidazo[1,2-a]pyridin-2-ylphenyl)-10,10-dimethyl-N-phenyl-12,19-diazatetracyclo[9.8.0.02,7.013,18]nonadeca-1(19),2(7),3,5,11,13,15,17-octaen-5-amine?

N-(4-imidazo[1,2-a]pyridin-2-ylphenyl)-10,10-dimethyl-N-phenyl-12,19-diazatetracyclo[9.8.0.02,7.013,18]nonadeca-1(19),2(7),3,5,11,13,15,17-octaen-5-amine has a molecular weight of 557.70 g/mol, XLogP of 9.31, 4 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.

Where does this data come from?

All data for N-(4-imidazo[1,2-a]pyridin-2-ylphenyl)-10,10-dimethyl-N-phenyl-12,19-diazatetracyclo[9.8.0.02,7.013,18]nonadeca-1(19),2(7),3,5,11,13,15,17-octaen-5-amine is sourced from PubChem (CID 70999897), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).