3-[3-(1H-imidazo[4,5-b]pyridin-2-yl)-5-[(2S)-1-methoxypropan-2-yl]oxyphenoxy]-N,N-dimethylbenzamide

C25H26N4O4 — CID 15949492

IUPAC3-[3-(1H-imidazo[4,5-b]pyridin-2-yl)-5-[(2S)-1-methoxypropan-2-yl]oxyphenoxy]-N,N-dimethylbenzamide
SMILESCOC[C@H](C)Oc1cc(Oc2cccc(C(=O)N(C)C)c2)cc(-c2nc3ncccc3[nH]2)c1
InChIInChI=1S/C25H26N4O4/c1-16(15-31-4)32-20-12-18(23-27-22-9-6-10-26-24(22)28-23)13-21(14-20)33-19-8-5-7-17(11-19)25(30)29(2)3/h5-14,16H,15H2,1-4H3,(H,26,27,28)/t16-/m0/s1
InChIKeyZNOLFYBSYFTCAN-INIZCTEOSA-N
MW446.51 g/mol
LogP4.53
Rot. Bonds8

About 3-[3-(1H-imidazo[4,5-b]pyridin-2-yl)-5-[(2S)-1-methoxypropan-2-yl]oxyphenoxy]-N,N-dimethylbenzamide

3-[3-(1H-imidazo[4,5-b]pyridin-2-yl)-5-[(2S)-1-methoxypropan-2-yl]oxyphenoxy]-N,N-dimethylbenzamide (PubChem CID 15949492) has the molecular formula C25H26N4O4 and a molecular weight of 446.51 g/mol. Its IUPAC name is 3-[3-(1H-imidazo[4,5-b]pyridin-2-yl)-5-[(2S)-1-methoxypropan-2-yl]oxyphenoxy]-N,N-dimethylbenzamide.

Molecular Properties

Compound Name3-[3-(1H-imidazo[4,5-b]pyridin-2-yl)-5-[(2S)-1-methoxypropan-2-yl]oxyphenoxy]-N,N-dimethylbenzamide
PubChem CID15949492
Molecular FormulaC25H26N4O4
Molecular Weight446.51 g/mol
Exact Mass446.20
IUPAC Name3-[3-(1H-imidazo[4,5-b]pyridin-2-yl)-5-[(2S)-1-methoxypropan-2-yl]oxyphenoxy]-N,N-dimethylbenzamide
SMILESCOC[C@H](C)Oc1cc(Oc2cccc(C(=O)N(C)C)c2)cc(-c2nc3ncccc3[nH]2)c1
InChIInChI=1S/C25H26N4O4/c1-16(15-31-4)32-20-12-18(23-27-22-9-6-10-26-24(22)28-23)13-21(14-20)33-19-8-5-7-17(11-19)25(30)29(2)3/h5-14,16H,15H2,1-4H3,(H,26,27,28)/t16-/m0/s1
InChIKeyZNOLFYBSYFTCAN-INIZCTEOSA-N
XLogP4.53
TPSA89.57 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds8
Heavy Atoms33
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500446.51
LogP ≤ 54.53
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of 3-[3-(1H-imidazo[4,5-b]pyridin-2-yl)-5-[(2S)-1-methoxypropan-2-yl]oxyphenoxy]-N,N-dimethylbenzamide?
The IUPAC name of 3-[3-(1H-imidazo[4,5-b]pyridin-2-yl)-5-[(2S)-1-methoxypropan-2-yl]oxyphenoxy]-N,N-dimethylbenzamide (CID 15949492) is 3-[3-(1H-imidazo[4,5-b]pyridin-2-yl)-5-[(2S)-1-methoxypropan-2-yl]oxyphenoxy]-N,N-dimethylbenzamide.
What is the SMILES notation for 3-[3-(1H-imidazo[4,5-b]pyridin-2-yl)-5-[(2S)-1-methoxypropan-2-yl]oxyphenoxy]-N,N-dimethylbenzamide?
The canonical SMILES for 3-[3-(1H-imidazo[4,5-b]pyridin-2-yl)-5-[(2S)-1-methoxypropan-2-yl]oxyphenoxy]-N,N-dimethylbenzamide is COC[C@H](C)Oc1cc(Oc2cccc(C(=O)N(C)C)c2)cc(-c2nc3ncccc3[nH]2)c1.
What is the InChIKey of 3-[3-(1H-imidazo[4,5-b]pyridin-2-yl)-5-[(2S)-1-methoxypropan-2-yl]oxyphenoxy]-N,N-dimethylbenzamide?
The InChIKey is ZNOLFYBSYFTCAN-INIZCTEOSA-N. The full InChI is InChI=1S/C25H26N4O4/c1-16(15-31-4)32-20-12-18(23-27-22-9-6-10-26-24(22)28-23)13-21(14-20)33-19-8-5-7-17(11-19)25(30)29(2)3/h5-14,16H,15H2,1-4H3,(H,26,27,28)/t16-/m0/s1.
What are the key properties of 3-[3-(1H-imidazo[4,5-b]pyridin-2-yl)-5-[(2S)-1-methoxypropan-2-yl]oxyphenoxy]-N,N-dimethylbenzamide?
3-[3-(1H-imidazo[4,5-b]pyridin-2-yl)-5-[(2S)-1-methoxypropan-2-yl]oxyphenoxy]-N,N-dimethylbenzamide has a molecular weight of 446.51 g/mol, XLogP of 4.53, 8 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[3-(1H-imidazo[4,5-b]pyridin-2-yl)-5-[(2S)-1-methoxypropan-2-yl]oxyphenoxy]-N,N-dimethylbenzamide is sourced from PubChem (CID 15949492), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).