[6-(2-amino-1,3-benzoxazol-5-yl)imidazo[1,2-a]pyridin-3-yl]-[3-[(3S)-3,4-dimethylpiperazin-1-yl]azetidin-1-yl]methanone

C24H27N7O2 — CID 50991338

IUPAC[6-(2-amino-1,3-benzoxazol-5-yl)imidazo[1,2-a]pyridin-3-yl]-[3-[(3S)-3,4-dimethylpiperazin-1-yl]azetidin-1-yl]methanone
SMILESC[C@H]1CN(C2CN(C(=O)c3cnc4ccc(-c5ccc6oc(N)nc6c5)cn34)C2)CCN1C
InChIInChI=1S/C24H27N7O2/c1-15-11-29(8-7-28(15)2)18-13-30(14-18)23(32)20-10-26-22-6-4-17(12-31(20)22)16-3-5-21-19(9-16)27-24(25)33-21/h3-6,9-10,12,15,18H,7-8,11,13-14H2,1-2H3,(H2,25,27)/t15-/m0/s1
InChIKeyDMGWDCXDEYVHHW-HNNXBMFYSA-N
MW445.53 g/mol
LogP2.18
Rot. Bonds3

About [6-(2-amino-1,3-benzoxazol-5-yl)imidazo[1,2-a]pyridin-3-yl]-[3-[(3S)-3,4-dimethylpiperazin-1-yl]azetidin-1-yl]methanone

[6-(2-amino-1,3-benzoxazol-5-yl)imidazo[1,2-a]pyridin-3-yl]-[3-[(3S)-3,4-dimethylpiperazin-1-yl]azetidin-1-yl]methanone (PubChem CID 50991338) has the molecular formula C24H27N7O2 and a molecular weight of 445.53 g/mol. Its IUPAC name is [6-(2-amino-1,3-benzoxazol-5-yl)imidazo[1,2-a]pyridin-3-yl]-[3-[(3S)-3,4-dimethylpiperazin-1-yl]azetidin-1-yl]methanone.

Molecular Properties

Compound Name[6-(2-amino-1,3-benzoxazol-5-yl)imidazo[1,2-a]pyridin-3-yl]-[3-[(3S)-3,4-dimethylpiperazin-1-yl]azetidin-1-yl]methanone
PubChem CID50991338
Molecular FormulaC24H27N7O2
Molecular Weight445.53 g/mol
Exact Mass445.22
IUPAC Name[6-(2-amino-1,3-benzoxazol-5-yl)imidazo[1,2-a]pyridin-3-yl]-[3-[(3S)-3,4-dimethylpiperazin-1-yl]azetidin-1-yl]methanone
SMILESC[C@H]1CN(C2CN(C(=O)c3cnc4ccc(-c5ccc6oc(N)nc6c5)cn34)C2)CCN1C
InChIInChI=1S/C24H27N7O2/c1-15-11-29(8-7-28(15)2)18-13-30(14-18)23(32)20-10-26-22-6-4-17(12-31(20)22)16-3-5-21-19(9-16)27-24(25)33-21/h3-6,9-10,12,15,18H,7-8,11,13-14H2,1-2H3,(H2,25,27)/t15-/m0/s1
InChIKeyDMGWDCXDEYVHHW-HNNXBMFYSA-N
XLogP2.18
TPSA96.14 Ų
H-Bond Donors1
H-Bond Acceptors8
Rotatable Bonds3
Heavy Atoms33
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500445.53
LogP ≤ 52.18
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 108

Analyze [6-(2-amino-1,3-benzoxazol-5-yl)imidazo[1,2-a]pyridin-3-yl]-[3-[(3S)-3,4-dimethylpiperazin-1-yl]azetidin-1-yl]methanone with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of [6-(2-amino-1,3-benzoxazol-5-yl)imidazo[1,2-a]pyridin-3-yl]-[3-[(3S)-3,4-dimethylpiperazin-1-yl]azetidin-1-yl]methanone?
The IUPAC name of [6-(2-amino-1,3-benzoxazol-5-yl)imidazo[1,2-a]pyridin-3-yl]-[3-[(3S)-3,4-dimethylpiperazin-1-yl]azetidin-1-yl]methanone (CID 50991338) is [6-(2-amino-1,3-benzoxazol-5-yl)imidazo[1,2-a]pyridin-3-yl]-[3-[(3S)-3,4-dimethylpiperazin-1-yl]azetidin-1-yl]methanone.
What is the SMILES notation for [6-(2-amino-1,3-benzoxazol-5-yl)imidazo[1,2-a]pyridin-3-yl]-[3-[(3S)-3,4-dimethylpiperazin-1-yl]azetidin-1-yl]methanone?
The canonical SMILES for [6-(2-amino-1,3-benzoxazol-5-yl)imidazo[1,2-a]pyridin-3-yl]-[3-[(3S)-3,4-dimethylpiperazin-1-yl]azetidin-1-yl]methanone is C[C@H]1CN(C2CN(C(=O)c3cnc4ccc(-c5ccc6oc(N)nc6c5)cn34)C2)CCN1C.
What is the InChIKey of [6-(2-amino-1,3-benzoxazol-5-yl)imidazo[1,2-a]pyridin-3-yl]-[3-[(3S)-3,4-dimethylpiperazin-1-yl]azetidin-1-yl]methanone?
The InChIKey is DMGWDCXDEYVHHW-HNNXBMFYSA-N. The full InChI is InChI=1S/C24H27N7O2/c1-15-11-29(8-7-28(15)2)18-13-30(14-18)23(32)20-10-26-22-6-4-17(12-31(20)22)16-3-5-21-19(9-16)27-24(25)33-21/h3-6,9-10,12,15,18H,7-8,11,13-14H2,1-2H3,(H2,25,27)/t15-/m0/s1.
What are the key properties of [6-(2-amino-1,3-benzoxazol-5-yl)imidazo[1,2-a]pyridin-3-yl]-[3-[(3S)-3,4-dimethylpiperazin-1-yl]azetidin-1-yl]methanone?
[6-(2-amino-1,3-benzoxazol-5-yl)imidazo[1,2-a]pyridin-3-yl]-[3-[(3S)-3,4-dimethylpiperazin-1-yl]azetidin-1-yl]methanone has a molecular weight of 445.53 g/mol, XLogP of 2.18, 3 rotatable bonds, 1 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for [6-(2-amino-1,3-benzoxazol-5-yl)imidazo[1,2-a]pyridin-3-yl]-[3-[(3S)-3,4-dimethylpiperazin-1-yl]azetidin-1-yl]methanone is sourced from PubChem (CID 50991338), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).