N-[(2S)-1-[4-[2-(2,2-difluoroethoxy)-3-methylimidazo[4,5-b]pyridin-5-yl]oxycyclohexyl]oxypropan-2-yl]acetamide

C20H28F2N4O4 — CID 122497769

IUPACN-[(2S)-1-[4-[2-(2,2-difluoroethoxy)-3-methylimidazo[4,5-b]pyridin-5-yl]oxycyclohexyl]oxypropan-2-yl]acetamide
SMILESCC(=O)N[C@@H](C)COC1CCC(Oc2ccc3nc(OCC(F)F)n(C)c3n2)CC1
InChIInChI=1S/C20H28F2N4O4/c1-12(23-13(2)27)10-28-14-4-6-15(7-5-14)30-18-9-8-16-19(25-18)26(3)20(24-16)29-11-17(21)22/h8-9,12,14-15,17H,4-7,10-11H2,1-3H3,(H,23,27)/t12-,14?,15?/m0/s1
InChIKeyUHVLUHAFJFOVOB-GRTSSRMGSA-N
MW426.46 g/mol
LogP2.84
Rot. Bonds9

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

N-[(2S)-1-[4-[2-(2,2-difluoroethoxy)-3-methylimidazo[4,5-b]pyridin-5-yl]oxycyclohexyl]oxypropan-2-yl]acetamide (PubChem CID 122497769) has the molecular formula C20H28F2N4O4 and a molecular weight of 426.46 g/mol. Its IUPAC name is N-[(2S)-1-[4-[2-(2,2-difluoroethoxy)-3-methylimidazo[4,5-b]pyridin-5-yl]oxycyclohexyl]oxypropan-2-yl]acetamide.

Molecular Properties

Compound NameN-[(2S)-1-[4-[2-(2,2-difluoroethoxy)-3-methylimidazo[4,5-b]pyridin-5-yl]oxycyclohexyl]oxypropan-2-yl]acetamide
PubChem CID122497769
Molecular FormulaC20H28F2N4O4
Molecular Weight426.46 g/mol
Exact Mass426.21
IUPAC NameN-[(2S)-1-[4-[2-(2,2-difluoroethoxy)-3-methylimidazo[4,5-b]pyridin-5-yl]oxycyclohexyl]oxypropan-2-yl]acetamide
SMILESCC(=O)N[C@@H](C)COC1CCC(Oc2ccc3nc(OCC(F)F)n(C)c3n2)CC1
InChIInChI=1S/C20H28F2N4O4/c1-12(23-13(2)27)10-28-14-4-6-15(7-5-14)30-18-9-8-16-19(25-18)26(3)20(24-16)29-11-17(21)22/h8-9,12,14-15,17H,4-7,10-11H2,1-3H3,(H,23,27)/t12-,14?,15?/m0/s1
InChIKeyUHVLUHAFJFOVOB-GRTSSRMGSA-N
XLogP2.84
TPSA87.50 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds9
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500426.46
LogP ≤ 52.84
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

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Frequently Asked Questions

What is the IUPAC name of N-[(2S)-1-[4-[2-(2,2-difluoroethoxy)-3-methylimidazo[4,5-b]pyridin-5-yl]oxycyclohexyl]oxypropan-2-yl]acetamide?
The IUPAC name of N-[(2S)-1-[4-[2-(2,2-difluoroethoxy)-3-methylimidazo[4,5-b]pyridin-5-yl]oxycyclohexyl]oxypropan-2-yl]acetamide (CID 122497769) is N-[(2S)-1-[4-[2-(2,2-difluoroethoxy)-3-methylimidazo[4,5-b]pyridin-5-yl]oxycyclohexyl]oxypropan-2-yl]acetamide.
What is the SMILES notation for N-[(2S)-1-[4-[2-(2,2-difluoroethoxy)-3-methylimidazo[4,5-b]pyridin-5-yl]oxycyclohexyl]oxypropan-2-yl]acetamide?
The canonical SMILES for N-[(2S)-1-[4-[2-(2,2-difluoroethoxy)-3-methylimidazo[4,5-b]pyridin-5-yl]oxycyclohexyl]oxypropan-2-yl]acetamide is CC(=O)N[C@@H](C)COC1CCC(Oc2ccc3nc(OCC(F)F)n(C)c3n2)CC1.
What is the InChIKey of N-[(2S)-1-[4-[2-(2,2-difluoroethoxy)-3-methylimidazo[4,5-b]pyridin-5-yl]oxycyclohexyl]oxypropan-2-yl]acetamide?
The InChIKey is UHVLUHAFJFOVOB-GRTSSRMGSA-N. The full InChI is InChI=1S/C20H28F2N4O4/c1-12(23-13(2)27)10-28-14-4-6-15(7-5-14)30-18-9-8-16-19(25-18)26(3)20(24-16)29-11-17(21)22/h8-9,12,14-15,17H,4-7,10-11H2,1-3H3,(H,23,27)/t12-,14?,15?/m0/s1.
What are the key properties of N-[(2S)-1-[4-[2-(2,2-difluoroethoxy)-3-methylimidazo[4,5-b]pyridin-5-yl]oxycyclohexyl]oxypropan-2-yl]acetamide?
N-[(2S)-1-[4-[2-(2,2-difluoroethoxy)-3-methylimidazo[4,5-b]pyridin-5-yl]oxycyclohexyl]oxypropan-2-yl]acetamide has a molecular weight of 426.46 g/mol, XLogP of 2.84, 9 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(2S)-1-[4-[2-(2,2-difluoroethoxy)-3-methylimidazo[4,5-b]pyridin-5-yl]oxycyclohexyl]oxypropan-2-yl]acetamide is sourced from PubChem (CID 122497769), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).