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

C21H28F2N4O4 — CID 122497667

IUPACN-[(2S)-1-[3-[[2-[(2,2-difluorocyclopropyl)methoxy]-3-methylimidazo[4,5-b]pyridin-5-yl]oxymethyl]cyclobutyl]oxypropan-2-yl]acetamide
SMILESCC(=O)N[C@@H](C)COC1CC(COc2ccc3nc(OCC4CC4(F)F)n(C)c3n2)C1
InChIInChI=1S/C21H28F2N4O4/c1-12(24-13(2)28)9-29-16-6-14(7-16)10-30-18-5-4-17-19(26-18)27(3)20(25-17)31-11-15-8-21(15,22)23/h4-5,12,14-16H,6-11H2,1-3H3,(H,24,28)/t12-,14?,15?,16?/m0/s1
InChIKeyNSLNQVIEUFIZDM-SFLNLBOUSA-N
MW438.48 g/mol
LogP2.70
Rot. Bonds10

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

N-[(2S)-1-[3-[[2-[(2,2-difluorocyclopropyl)methoxy]-3-methylimidazo[4,5-b]pyridin-5-yl]oxymethyl]cyclobutyl]oxypropan-2-yl]acetamide (PubChem CID 122497667) has the molecular formula C21H28F2N4O4 and a molecular weight of 438.48 g/mol. Its IUPAC name is N-[(2S)-1-[3-[[2-[(2,2-difluorocyclopropyl)methoxy]-3-methylimidazo[4,5-b]pyridin-5-yl]oxymethyl]cyclobutyl]oxypropan-2-yl]acetamide.

Molecular Properties

Compound NameN-[(2S)-1-[3-[[2-[(2,2-difluorocyclopropyl)methoxy]-3-methylimidazo[4,5-b]pyridin-5-yl]oxymethyl]cyclobutyl]oxypropan-2-yl]acetamide
PubChem CID122497667
Molecular FormulaC21H28F2N4O4
Molecular Weight438.48 g/mol
Exact Mass438.21
IUPAC NameN-[(2S)-1-[3-[[2-[(2,2-difluorocyclopropyl)methoxy]-3-methylimidazo[4,5-b]pyridin-5-yl]oxymethyl]cyclobutyl]oxypropan-2-yl]acetamide
SMILESCC(=O)N[C@@H](C)COC1CC(COc2ccc3nc(OCC4CC4(F)F)n(C)c3n2)C1
InChIInChI=1S/C21H28F2N4O4/c1-12(24-13(2)28)9-29-16-6-14(7-16)10-30-18-5-4-17-19(26-18)27(3)20(25-17)31-11-15-8-21(15,22)23/h4-5,12,14-16H,6-11H2,1-3H3,(H,24,28)/t12-,14?,15?,16?/m0/s1
InChIKeyNSLNQVIEUFIZDM-SFLNLBOUSA-N
XLogP2.70
TPSA87.50 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds10
Heavy Atoms31
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500438.48
LogP ≤ 52.70
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

Analyze N-[(2S)-1-[3-[[2-[(2,2-difluorocyclopropyl)methoxy]-3-methylimidazo[4,5-b]pyridin-5-yl]oxymethyl]cyclobutyl]oxypropan-2-yl]acetamide 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 N-[(2S)-1-[3-[[2-[(2,2-difluorocyclopropyl)methoxy]-3-methylimidazo[4,5-b]pyridin-5-yl]oxymethyl]cyclobutyl]oxypropan-2-yl]acetamide?
The IUPAC name of N-[(2S)-1-[3-[[2-[(2,2-difluorocyclopropyl)methoxy]-3-methylimidazo[4,5-b]pyridin-5-yl]oxymethyl]cyclobutyl]oxypropan-2-yl]acetamide (CID 122497667) is N-[(2S)-1-[3-[[2-[(2,2-difluorocyclopropyl)methoxy]-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-[(2,2-difluorocyclopropyl)methoxy]-3-methylimidazo[4,5-b]pyridin-5-yl]oxymethyl]cyclobutyl]oxypropan-2-yl]acetamide?
The canonical SMILES for N-[(2S)-1-[3-[[2-[(2,2-difluorocyclopropyl)methoxy]-3-methylimidazo[4,5-b]pyridin-5-yl]oxymethyl]cyclobutyl]oxypropan-2-yl]acetamide is CC(=O)N[C@@H](C)COC1CC(COc2ccc3nc(OCC4CC4(F)F)n(C)c3n2)C1.
What is the InChIKey of N-[(2S)-1-[3-[[2-[(2,2-difluorocyclopropyl)methoxy]-3-methylimidazo[4,5-b]pyridin-5-yl]oxymethyl]cyclobutyl]oxypropan-2-yl]acetamide?
The InChIKey is NSLNQVIEUFIZDM-SFLNLBOUSA-N. The full InChI is InChI=1S/C21H28F2N4O4/c1-12(24-13(2)28)9-29-16-6-14(7-16)10-30-18-5-4-17-19(26-18)27(3)20(25-17)31-11-15-8-21(15,22)23/h4-5,12,14-16H,6-11H2,1-3H3,(H,24,28)/t12-,14?,15?,16?/m0/s1.
What are the key properties of N-[(2S)-1-[3-[[2-[(2,2-difluorocyclopropyl)methoxy]-3-methylimidazo[4,5-b]pyridin-5-yl]oxymethyl]cyclobutyl]oxypropan-2-yl]acetamide?
N-[(2S)-1-[3-[[2-[(2,2-difluorocyclopropyl)methoxy]-3-methylimidazo[4,5-b]pyridin-5-yl]oxymethyl]cyclobutyl]oxypropan-2-yl]acetamide has a molecular weight of 438.48 g/mol, XLogP of 2.70, 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-[(2,2-difluorocyclopropyl)methoxy]-3-methylimidazo[4,5-b]pyridin-5-yl]oxymethyl]cyclobutyl]oxypropan-2-yl]acetamide is sourced from PubChem (CID 122497667), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).