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

C20H28N4O4 — CID 122497657

IUPACN-[(2S)-1-[3-[(2-cyclopropyloxy-3-methylimidazo[4,5-b]pyridin-5-yl)oxymethyl]cyclobutyl]oxypropan-2-yl]acetamide
SMILESCC(=O)N[C@@H](C)COC1CC(COc2ccc3nc(OC4CC4)n(C)c3n2)C1
InChIInChI=1S/C20H28N4O4/c1-12(21-13(2)25)10-26-16-8-14(9-16)11-27-18-7-6-17-19(23-18)24(3)20(22-17)28-15-4-5-15/h6-7,12,14-16H,4-5,8-11H2,1-3H3,(H,21,25)/t12-,14?,16?/m0/s1
InChIKeyPUBIZFNETUCCDJ-YGONEPDPSA-N
MW388.47 g/mol
LogP2.21
Rot. Bonds9

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

N-[(2S)-1-[3-[(2-cyclopropyloxy-3-methylimidazo[4,5-b]pyridin-5-yl)oxymethyl]cyclobutyl]oxypropan-2-yl]acetamide (PubChem CID 122497657) has the molecular formula C20H28N4O4 and a molecular weight of 388.47 g/mol. Its IUPAC name is N-[(2S)-1-[3-[(2-cyclopropyloxy-3-methylimidazo[4,5-b]pyridin-5-yl)oxymethyl]cyclobutyl]oxypropan-2-yl]acetamide.

Molecular Properties

Compound NameN-[(2S)-1-[3-[(2-cyclopropyloxy-3-methylimidazo[4,5-b]pyridin-5-yl)oxymethyl]cyclobutyl]oxypropan-2-yl]acetamide
PubChem CID122497657
Molecular FormulaC20H28N4O4
Molecular Weight388.47 g/mol
Exact Mass388.21
IUPAC NameN-[(2S)-1-[3-[(2-cyclopropyloxy-3-methylimidazo[4,5-b]pyridin-5-yl)oxymethyl]cyclobutyl]oxypropan-2-yl]acetamide
SMILESCC(=O)N[C@@H](C)COC1CC(COc2ccc3nc(OC4CC4)n(C)c3n2)C1
InChIInChI=1S/C20H28N4O4/c1-12(21-13(2)25)10-26-16-8-14(9-16)11-27-18-7-6-17-19(23-18)24(3)20(22-17)28-15-4-5-15/h6-7,12,14-16H,4-5,8-11H2,1-3H3,(H,21,25)/t12-,14?,16?/m0/s1
InChIKeyPUBIZFNETUCCDJ-YGONEPDPSA-N
XLogP2.21
TPSA87.50 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds9
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500388.47
LogP ≤ 52.21
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-cyclopropyloxy-3-methylimidazo[4,5-b]pyridin-5-yl)oxymethyl]cyclobutyl]oxypropan-2-yl]acetamide?
The IUPAC name of N-[(2S)-1-[3-[(2-cyclopropyloxy-3-methylimidazo[4,5-b]pyridin-5-yl)oxymethyl]cyclobutyl]oxypropan-2-yl]acetamide (CID 122497657) is N-[(2S)-1-[3-[(2-cyclopropyloxy-3-methylimidazo[4,5-b]pyridin-5-yl)oxymethyl]cyclobutyl]oxypropan-2-yl]acetamide.
What is the SMILES notation for N-[(2S)-1-[3-[(2-cyclopropyloxy-3-methylimidazo[4,5-b]pyridin-5-yl)oxymethyl]cyclobutyl]oxypropan-2-yl]acetamide?
The canonical SMILES for N-[(2S)-1-[3-[(2-cyclopropyloxy-3-methylimidazo[4,5-b]pyridin-5-yl)oxymethyl]cyclobutyl]oxypropan-2-yl]acetamide is CC(=O)N[C@@H](C)COC1CC(COc2ccc3nc(OC4CC4)n(C)c3n2)C1.
What is the InChIKey of N-[(2S)-1-[3-[(2-cyclopropyloxy-3-methylimidazo[4,5-b]pyridin-5-yl)oxymethyl]cyclobutyl]oxypropan-2-yl]acetamide?
The InChIKey is PUBIZFNETUCCDJ-YGONEPDPSA-N. The full InChI is InChI=1S/C20H28N4O4/c1-12(21-13(2)25)10-26-16-8-14(9-16)11-27-18-7-6-17-19(23-18)24(3)20(22-17)28-15-4-5-15/h6-7,12,14-16H,4-5,8-11H2,1-3H3,(H,21,25)/t12-,14?,16?/m0/s1.
What are the key properties of N-[(2S)-1-[3-[(2-cyclopropyloxy-3-methylimidazo[4,5-b]pyridin-5-yl)oxymethyl]cyclobutyl]oxypropan-2-yl]acetamide?
N-[(2S)-1-[3-[(2-cyclopropyloxy-3-methylimidazo[4,5-b]pyridin-5-yl)oxymethyl]cyclobutyl]oxypropan-2-yl]acetamide has a molecular weight of 388.47 g/mol, XLogP of 2.21, 9 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-cyclopropyloxy-3-methylimidazo[4,5-b]pyridin-5-yl)oxymethyl]cyclobutyl]oxypropan-2-yl]acetamide is sourced from PubChem (CID 122497657), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).