3-imidazo[1,2-a]pyridin-2-yl-N-[(1R,5S)-3-(3-imidazo[1,2-a]pyridin-2-ylbenzoyl)-3-azabicyclo[3.1.0]hexan-6-yl]benzamide

C33H26N6O2 — CID 171398538

IUPAC3-imidazo[1,2-a]pyridin-2-yl-N-[(1R,5S)-3-(3-imidazo[1,2-a]pyridin-2-ylbenzoyl)-3-azabicyclo[3.1.0]hexan-6-yl]benzamide
SMILESO=C(NC1[C@H]2CN(C(=O)c3cccc(-c4cn5ccccc5n4)c3)C[C@@H]12)c1cccc(-c2cn3ccccc3n2)c1
InChIInChI=1S/C33H26N6O2/c40-32(23-9-5-7-21(15-23)27-19-37-13-3-1-11-29(37)34-27)36-31-25-17-39(18-26(25)31)33(41)24-10-6-8-22(16-24)28-20-38-14-4-2-12-30(38)35-28/h1-16,19-20,25-26,31H,17-18H2,(H,36,40)/t25-,26+,31?
InChIKeyWAVJMTFMXBVLJT-PUEMECIWSA-N
MW538.61 g/mol
LogP4.82
Rot. Bonds5

About 3-imidazo[1,2-a]pyridin-2-yl-N-[(1R,5S)-3-(3-imidazo[1,2-a]pyridin-2-ylbenzoyl)-3-azabicyclo[3.1.0]hexan-6-yl]benzamide

3-imidazo[1,2-a]pyridin-2-yl-N-[(1R,5S)-3-(3-imidazo[1,2-a]pyridin-2-ylbenzoyl)-3-azabicyclo[3.1.0]hexan-6-yl]benzamide (PubChem CID 171398538) has the molecular formula C33H26N6O2 and a molecular weight of 538.61 g/mol. Its IUPAC name is 3-imidazo[1,2-a]pyridin-2-yl-N-[(1R,5S)-3-(3-imidazo[1,2-a]pyridin-2-ylbenzoyl)-3-azabicyclo[3.1.0]hexan-6-yl]benzamide.

Molecular Properties

Compound Name3-imidazo[1,2-a]pyridin-2-yl-N-[(1R,5S)-3-(3-imidazo[1,2-a]pyridin-2-ylbenzoyl)-3-azabicyclo[3.1.0]hexan-6-yl]benzamide
PubChem CID171398538
Molecular FormulaC33H26N6O2
Molecular Weight538.61 g/mol
Exact Mass538.21
IUPAC Name3-imidazo[1,2-a]pyridin-2-yl-N-[(1R,5S)-3-(3-imidazo[1,2-a]pyridin-2-ylbenzoyl)-3-azabicyclo[3.1.0]hexan-6-yl]benzamide
SMILESO=C(NC1[C@H]2CN(C(=O)c3cccc(-c4cn5ccccc5n4)c3)C[C@@H]12)c1cccc(-c2cn3ccccc3n2)c1
InChIInChI=1S/C33H26N6O2/c40-32(23-9-5-7-21(15-23)27-19-37-13-3-1-11-29(37)34-27)36-31-25-17-39(18-26(25)31)33(41)24-10-6-8-22(16-24)28-20-38-14-4-2-12-30(38)35-28/h1-16,19-20,25-26,31H,17-18H2,(H,36,40)/t25-,26+,31?
InChIKeyWAVJMTFMXBVLJT-PUEMECIWSA-N
XLogP4.82
TPSA84.01 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms41
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500538.61
LogP ≤ 54.82
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

Analyze 3-imidazo[1,2-a]pyridin-2-yl-N-[(1R,5S)-3-(3-imidazo[1,2-a]pyridin-2-ylbenzoyl)-3-azabicyclo[3.1.0]hexan-6-yl]benzamide with MolForge

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Frequently Asked Questions

What is the IUPAC name of 3-imidazo[1,2-a]pyridin-2-yl-N-[(1R,5S)-3-(3-imidazo[1,2-a]pyridin-2-ylbenzoyl)-3-azabicyclo[3.1.0]hexan-6-yl]benzamide?
The IUPAC name of 3-imidazo[1,2-a]pyridin-2-yl-N-[(1R,5S)-3-(3-imidazo[1,2-a]pyridin-2-ylbenzoyl)-3-azabicyclo[3.1.0]hexan-6-yl]benzamide (CID 171398538) is 3-imidazo[1,2-a]pyridin-2-yl-N-[(1R,5S)-3-(3-imidazo[1,2-a]pyridin-2-ylbenzoyl)-3-azabicyclo[3.1.0]hexan-6-yl]benzamide.
What is the SMILES notation for 3-imidazo[1,2-a]pyridin-2-yl-N-[(1R,5S)-3-(3-imidazo[1,2-a]pyridin-2-ylbenzoyl)-3-azabicyclo[3.1.0]hexan-6-yl]benzamide?
The canonical SMILES for 3-imidazo[1,2-a]pyridin-2-yl-N-[(1R,5S)-3-(3-imidazo[1,2-a]pyridin-2-ylbenzoyl)-3-azabicyclo[3.1.0]hexan-6-yl]benzamide is O=C(NC1[C@H]2CN(C(=O)c3cccc(-c4cn5ccccc5n4)c3)C[C@@H]12)c1cccc(-c2cn3ccccc3n2)c1.
What is the InChIKey of 3-imidazo[1,2-a]pyridin-2-yl-N-[(1R,5S)-3-(3-imidazo[1,2-a]pyridin-2-ylbenzoyl)-3-azabicyclo[3.1.0]hexan-6-yl]benzamide?
The InChIKey is WAVJMTFMXBVLJT-PUEMECIWSA-N. The full InChI is InChI=1S/C33H26N6O2/c40-32(23-9-5-7-21(15-23)27-19-37-13-3-1-11-29(37)34-27)36-31-25-17-39(18-26(25)31)33(41)24-10-6-8-22(16-24)28-20-38-14-4-2-12-30(38)35-28/h1-16,19-20,25-26,31H,17-18H2,(H,36,40)/t25-,26+,31?.
What are the key properties of 3-imidazo[1,2-a]pyridin-2-yl-N-[(1R,5S)-3-(3-imidazo[1,2-a]pyridin-2-ylbenzoyl)-3-azabicyclo[3.1.0]hexan-6-yl]benzamide?
3-imidazo[1,2-a]pyridin-2-yl-N-[(1R,5S)-3-(3-imidazo[1,2-a]pyridin-2-ylbenzoyl)-3-azabicyclo[3.1.0]hexan-6-yl]benzamide has a molecular weight of 538.61 g/mol, XLogP of 4.82, 5 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 3-imidazo[1,2-a]pyridin-2-yl-N-[(1R,5S)-3-(3-imidazo[1,2-a]pyridin-2-ylbenzoyl)-3-azabicyclo[3.1.0]hexan-6-yl]benzamide is sourced from PubChem (CID 171398538), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).