N-[(2S)-1-[3-[(2-ethoxy-3-ethylimidazo[4,5-b]pyridin-5-yl)oxymethyl]cyclobutyl]oxypropan-2-yl]acetamide

C20H30N4O4 — CID 122498084

IUPACN-[(2S)-1-[3-[(2-ethoxy-3-ethylimidazo[4,5-b]pyridin-5-yl)oxymethyl]cyclobutyl]oxypropan-2-yl]acetamide
SMILESCCOc1nc2ccc(OCC3CC(OC[C@H](C)NC(C)=O)C3)nc2n1CC
InChIInChI=1S/C20H30N4O4/c1-5-24-19-17(22-20(24)26-6-2)7-8-18(23-19)28-12-15-9-16(10-15)27-11-13(3)21-14(4)25/h7-8,13,15-16H,5-6,9-12H2,1-4H3,(H,21,25)/t13-,15?,16?/m0/s1
InChIKeyHZWIKZVNRAPUHQ-JEYLPNPQSA-N
MW390.48 g/mol
LogP2.55
Rot. Bonds10

About N-[(2S)-1-[3-[(2-ethoxy-3-ethylimidazo[4,5-b]pyridin-5-yl)oxymethyl]cyclobutyl]oxypropan-2-yl]acetamide

N-[(2S)-1-[3-[(2-ethoxy-3-ethylimidazo[4,5-b]pyridin-5-yl)oxymethyl]cyclobutyl]oxypropan-2-yl]acetamide (PubChem CID 122498084) has the molecular formula C20H30N4O4 and a molecular weight of 390.48 g/mol. Its IUPAC name is N-[(2S)-1-[3-[(2-ethoxy-3-ethylimidazo[4,5-b]pyridin-5-yl)oxymethyl]cyclobutyl]oxypropan-2-yl]acetamide.

Molecular Properties

Compound NameN-[(2S)-1-[3-[(2-ethoxy-3-ethylimidazo[4,5-b]pyridin-5-yl)oxymethyl]cyclobutyl]oxypropan-2-yl]acetamide
PubChem CID122498084
Molecular FormulaC20H30N4O4
Molecular Weight390.48 g/mol
Exact Mass390.23
IUPAC NameN-[(2S)-1-[3-[(2-ethoxy-3-ethylimidazo[4,5-b]pyridin-5-yl)oxymethyl]cyclobutyl]oxypropan-2-yl]acetamide
SMILESCCOc1nc2ccc(OCC3CC(OC[C@H](C)NC(C)=O)C3)nc2n1CC
InChIInChI=1S/C20H30N4O4/c1-5-24-19-17(22-20(24)26-6-2)7-8-18(23-19)28-12-15-9-16(10-15)27-11-13(3)21-14(4)25/h7-8,13,15-16H,5-6,9-12H2,1-4H3,(H,21,25)/t13-,15?,16?/m0/s1
InChIKeyHZWIKZVNRAPUHQ-JEYLPNPQSA-N
XLogP2.55
TPSA87.50 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds10
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500390.48
LogP ≤ 52.55
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

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Frequently Asked Questions

What is the IUPAC name of N-[(2S)-1-[3-[(2-ethoxy-3-ethylimidazo[4,5-b]pyridin-5-yl)oxymethyl]cyclobutyl]oxypropan-2-yl]acetamide?
The IUPAC name of N-[(2S)-1-[3-[(2-ethoxy-3-ethylimidazo[4,5-b]pyridin-5-yl)oxymethyl]cyclobutyl]oxypropan-2-yl]acetamide (CID 122498084) is N-[(2S)-1-[3-[(2-ethoxy-3-ethylimidazo[4,5-b]pyridin-5-yl)oxymethyl]cyclobutyl]oxypropan-2-yl]acetamide.
What is the SMILES notation for N-[(2S)-1-[3-[(2-ethoxy-3-ethylimidazo[4,5-b]pyridin-5-yl)oxymethyl]cyclobutyl]oxypropan-2-yl]acetamide?
The canonical SMILES for N-[(2S)-1-[3-[(2-ethoxy-3-ethylimidazo[4,5-b]pyridin-5-yl)oxymethyl]cyclobutyl]oxypropan-2-yl]acetamide is CCOc1nc2ccc(OCC3CC(OC[C@H](C)NC(C)=O)C3)nc2n1CC.
What is the InChIKey of N-[(2S)-1-[3-[(2-ethoxy-3-ethylimidazo[4,5-b]pyridin-5-yl)oxymethyl]cyclobutyl]oxypropan-2-yl]acetamide?
The InChIKey is HZWIKZVNRAPUHQ-JEYLPNPQSA-N. The full InChI is InChI=1S/C20H30N4O4/c1-5-24-19-17(22-20(24)26-6-2)7-8-18(23-19)28-12-15-9-16(10-15)27-11-13(3)21-14(4)25/h7-8,13,15-16H,5-6,9-12H2,1-4H3,(H,21,25)/t13-,15?,16?/m0/s1.
What are the key properties of N-[(2S)-1-[3-[(2-ethoxy-3-ethylimidazo[4,5-b]pyridin-5-yl)oxymethyl]cyclobutyl]oxypropan-2-yl]acetamide?
N-[(2S)-1-[3-[(2-ethoxy-3-ethylimidazo[4,5-b]pyridin-5-yl)oxymethyl]cyclobutyl]oxypropan-2-yl]acetamide has a molecular weight of 390.48 g/mol, XLogP of 2.55, 10 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(2S)-1-[3-[(2-ethoxy-3-ethylimidazo[4,5-b]pyridin-5-yl)oxymethyl]cyclobutyl]oxypropan-2-yl]acetamide is sourced from PubChem (CID 122498084), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).