2-(4-chlorophenyl)-N-[4-(2,2-difluoro-4,6,10,12-tetramethyl-3-aza-1-azonia-2-boranuidatricyclo[7.3.0.03,7]dodeca-1(12),4,6,8,10-pentaen-8-yl)phenyl]imidazo[1,2-a]pyridin-3-amine

C32H27BClF2N5 — CID 164668768

IUPAC2-(4-chlorophenyl)-N-[4-(2,2-difluoro-4,6,10,12-tetramethyl-3-aza-1-azonia-2-boranuidatricyclo[7.3.0.03,7]dodeca-1(12),4,6,8,10-pentaen-8-yl)phenyl]imidazo[1,2-a]pyridin-3-amine
SMILESCC1=CC(C)=[N+]2C1=C(c1ccc(Nc3c(-c4ccc(Cl)cc4)nc4ccccn34)cc1)c1c(C)cc(C)n1[B-]2(F)F
InChIInChI=1S/C32H27BClF2N5/c1-19-17-21(3)40-30(19)28(31-20(2)18-22(4)41(31)33(40,35)36)23-10-14-26(15-11-23)37-32-29(24-8-12-25(34)13-9-24)38-27-7-5-6-16-39(27)32/h5-18,37H,1-4H3
InChIKeyYHYHOQSVWMOQIR-UHFFFAOYSA-N
MW565.86 g/mol
LogP8.25
Rot. Bonds4

About 2-(4-chlorophenyl)-N-[4-(2,2-difluoro-4,6,10,12-tetramethyl-3-aza-1-azonia-2-boranuidatricyclo[7.3.0.03,7]dodeca-1(12),4,6,8,10-pentaen-8-yl)phenyl]imidazo[1,2-a]pyridin-3-amine

2-(4-chlorophenyl)-N-[4-(2,2-difluoro-4,6,10,12-tetramethyl-3-aza-1-azonia-2-boranuidatricyclo[7.3.0.03,7]dodeca-1(12),4,6,8,10-pentaen-8-yl)phenyl]imidazo[1,2-a]pyridin-3-amine (PubChem CID 164668768) has the molecular formula C32H27BClF2N5 and a molecular weight of 565.86 g/mol. Its IUPAC name is 2-(4-chlorophenyl)-N-[4-(2,2-difluoro-4,6,10,12-tetramethyl-3-aza-1-azonia-2-boranuidatricyclo[7.3.0.03,7]dodeca-1(12),4,6,8,10-pentaen-8-yl)phenyl]imidazo[1,2-a]pyridin-3-amine.

Molecular Properties

Compound Name2-(4-chlorophenyl)-N-[4-(2,2-difluoro-4,6,10,12-tetramethyl-3-aza-1-azonia-2-boranuidatricyclo[7.3.0.03,7]dodeca-1(12),4,6,8,10-pentaen-8-yl)phenyl]imidazo[1,2-a]pyridin-3-amine
PubChem CID164668768
Molecular FormulaC32H27BClF2N5
Molecular Weight565.86 g/mol
Exact Mass565.20
IUPAC Name2-(4-chlorophenyl)-N-[4-(2,2-difluoro-4,6,10,12-tetramethyl-3-aza-1-azonia-2-boranuidatricyclo[7.3.0.03,7]dodeca-1(12),4,6,8,10-pentaen-8-yl)phenyl]imidazo[1,2-a]pyridin-3-amine
SMILESCC1=CC(C)=[N+]2C1=C(c1ccc(Nc3c(-c4ccc(Cl)cc4)nc4ccccn34)cc1)c1c(C)cc(C)n1[B-]2(F)F
InChIInChI=1S/C32H27BClF2N5/c1-19-17-21(3)40-30(19)28(31-20(2)18-22(4)41(31)33(40,35)36)23-10-14-26(15-11-23)37-32-29(24-8-12-25(34)13-9-24)38-27-7-5-6-16-39(27)32/h5-18,37H,1-4H3
InChIKeyYHYHOQSVWMOQIR-UHFFFAOYSA-N
XLogP8.25
TPSA37.27 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms41
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500565.86
LogP ≤ 58.25
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

Analyze 2-(4-chlorophenyl)-N-[4-(2,2-difluoro-4,6,10,12-tetramethyl-3-aza-1-azonia-2-boranuidatricyclo[7.3.0.03,7]dodeca-1(12),4,6,8,10-pentaen-8-yl)phenyl]imidazo[1,2-a]pyridin-3-amine with MolForge

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Related Compounds

2-(4-chlorophenyl)-N-(2,6-dimethylphenyl)imidazo[1,2-a]pyridin-3-amine
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N-[2-(4-chlorophenyl)imidazo[1,2-a]pyridin-3-yl]-4-methylbenzenesulfonamide
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CID 167713581
2-(6-chloro-2-fluoro-3-methylphenyl)-N-phenylimidazo[1,2-a]pyridin-3-amine
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CID 7338215
N-(4-methoxyphenyl)-2-(3,4,5-trimethoxyphenyl)imidazo[1,2-a]pyridin-3-amine
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CID 155716236
3-(4-bromophenyl)-2-(4-chlorophenyl)imidazo[1,2-a]pyridine
CID 155255091
2-(4-chlorophenyl)-6-methyl-N-(2-methylphenyl)imidazo[1,2-a]pyridin-3-amine
CID 5043706
4-chloro-N-(2-naphthalen-2-ylimidazo[1,2-a]pyridin-3-yl)benzamide
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Frequently Asked Questions

What is the IUPAC name of 2-(4-chlorophenyl)-N-[4-(2,2-difluoro-4,6,10,12-tetramethyl-3-aza-1-azonia-2-boranuidatricyclo[7.3.0.03,7]dodeca-1(12),4,6,8,10-pentaen-8-yl)phenyl]imidazo[1,2-a]pyridin-3-amine?
The IUPAC name of 2-(4-chlorophenyl)-N-[4-(2,2-difluoro-4,6,10,12-tetramethyl-3-aza-1-azonia-2-boranuidatricyclo[7.3.0.03,7]dodeca-1(12),4,6,8,10-pentaen-8-yl)phenyl]imidazo[1,2-a]pyridin-3-amine (CID 164668768) is 2-(4-chlorophenyl)-N-[4-(2,2-difluoro-4,6,10,12-tetramethyl-3-aza-1-azonia-2-boranuidatricyclo[7.3.0.03,7]dodeca-1(12),4,6,8,10-pentaen-8-yl)phenyl]imidazo[1,2-a]pyridin-3-amine.
What is the SMILES notation for 2-(4-chlorophenyl)-N-[4-(2,2-difluoro-4,6,10,12-tetramethyl-3-aza-1-azonia-2-boranuidatricyclo[7.3.0.03,7]dodeca-1(12),4,6,8,10-pentaen-8-yl)phenyl]imidazo[1,2-a]pyridin-3-amine?
The canonical SMILES for 2-(4-chlorophenyl)-N-[4-(2,2-difluoro-4,6,10,12-tetramethyl-3-aza-1-azonia-2-boranuidatricyclo[7.3.0.03,7]dodeca-1(12),4,6,8,10-pentaen-8-yl)phenyl]imidazo[1,2-a]pyridin-3-amine is CC1=CC(C)=[N+]2C1=C(c1ccc(Nc3c(-c4ccc(Cl)cc4)nc4ccccn34)cc1)c1c(C)cc(C)n1[B-]2(F)F.
What is the InChIKey of 2-(4-chlorophenyl)-N-[4-(2,2-difluoro-4,6,10,12-tetramethyl-3-aza-1-azonia-2-boranuidatricyclo[7.3.0.03,7]dodeca-1(12),4,6,8,10-pentaen-8-yl)phenyl]imidazo[1,2-a]pyridin-3-amine?
The InChIKey is YHYHOQSVWMOQIR-UHFFFAOYSA-N. The full InChI is InChI=1S/C32H27BClF2N5/c1-19-17-21(3)40-30(19)28(31-20(2)18-22(4)41(31)33(40,35)36)23-10-14-26(15-11-23)37-32-29(24-8-12-25(34)13-9-24)38-27-7-5-6-16-39(27)32/h5-18,37H,1-4H3.
What are the key properties of 2-(4-chlorophenyl)-N-[4-(2,2-difluoro-4,6,10,12-tetramethyl-3-aza-1-azonia-2-boranuidatricyclo[7.3.0.03,7]dodeca-1(12),4,6,8,10-pentaen-8-yl)phenyl]imidazo[1,2-a]pyridin-3-amine?
2-(4-chlorophenyl)-N-[4-(2,2-difluoro-4,6,10,12-tetramethyl-3-aza-1-azonia-2-boranuidatricyclo[7.3.0.03,7]dodeca-1(12),4,6,8,10-pentaen-8-yl)phenyl]imidazo[1,2-a]pyridin-3-amine has a molecular weight of 565.86 g/mol, XLogP of 8.25, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(4-chlorophenyl)-N-[4-(2,2-difluoro-4,6,10,12-tetramethyl-3-aza-1-azonia-2-boranuidatricyclo[7.3.0.03,7]dodeca-1(12),4,6,8,10-pentaen-8-yl)phenyl]imidazo[1,2-a]pyridin-3-amine is sourced from PubChem (CID 164668768), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).