N-[(2S)-1-[4-[6-(2,2-difluoroethoxy)-7-fluoro-1-methylimidazo[4,5-c]pyridin-2-yl]oxycyclohexyl]oxypropan-2-yl]acetamide

C20H27F3N4O4 — CID 122497806

IUPACN-[(2S)-1-[4-[6-(2,2-difluoroethoxy)-7-fluoro-1-methylimidazo[4,5-c]pyridin-2-yl]oxycyclohexyl]oxypropan-2-yl]acetamide
SMILESCC(=O)N[C@@H](C)COC1CCC(Oc2nc3cnc(OCC(F)F)c(F)c3n2C)CC1
InChIInChI=1S/C20H27F3N4O4/c1-11(25-12(2)28)9-29-13-4-6-14(7-5-13)31-20-26-15-8-24-19(30-10-16(21)22)17(23)18(15)27(20)3/h8,11,13-14,16H,4-7,9-10H2,1-3H3,(H,25,28)/t11-,13?,14?/m0/s1
InChIKeyPUCFWQFHTPXRFT-XGNXJENSSA-N
MW444.45 g/mol
LogP2.98
Rot. Bonds9

About N-[(2S)-1-[4-[6-(2,2-difluoroethoxy)-7-fluoro-1-methylimidazo[4,5-c]pyridin-2-yl]oxycyclohexyl]oxypropan-2-yl]acetamide

N-[(2S)-1-[4-[6-(2,2-difluoroethoxy)-7-fluoro-1-methylimidazo[4,5-c]pyridin-2-yl]oxycyclohexyl]oxypropan-2-yl]acetamide (PubChem CID 122497806) has the molecular formula C20H27F3N4O4 and a molecular weight of 444.45 g/mol. Its IUPAC name is N-[(2S)-1-[4-[6-(2,2-difluoroethoxy)-7-fluoro-1-methylimidazo[4,5-c]pyridin-2-yl]oxycyclohexyl]oxypropan-2-yl]acetamide.

Molecular Properties

Compound NameN-[(2S)-1-[4-[6-(2,2-difluoroethoxy)-7-fluoro-1-methylimidazo[4,5-c]pyridin-2-yl]oxycyclohexyl]oxypropan-2-yl]acetamide
PubChem CID122497806
Molecular FormulaC20H27F3N4O4
Molecular Weight444.45 g/mol
Exact Mass444.20
IUPAC NameN-[(2S)-1-[4-[6-(2,2-difluoroethoxy)-7-fluoro-1-methylimidazo[4,5-c]pyridin-2-yl]oxycyclohexyl]oxypropan-2-yl]acetamide
SMILESCC(=O)N[C@@H](C)COC1CCC(Oc2nc3cnc(OCC(F)F)c(F)c3n2C)CC1
InChIInChI=1S/C20H27F3N4O4/c1-11(25-12(2)28)9-29-13-4-6-14(7-5-13)31-20-26-15-8-24-19(30-10-16(21)22)17(23)18(15)27(20)3/h8,11,13-14,16H,4-7,9-10H2,1-3H3,(H,25,28)/t11-,13?,14?/m0/s1
InChIKeyPUCFWQFHTPXRFT-XGNXJENSSA-N
XLogP2.98
TPSA87.50 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds9
Heavy Atoms31
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500444.45
LogP ≤ 52.98
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

Analyze N-[(2S)-1-[4-[6-(2,2-difluoroethoxy)-7-fluoro-1-methylimidazo[4,5-c]pyridin-2-yl]oxycyclohexyl]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

Related Compounds

N-(3-fluorophenyl)-N'-{4-[(5-methyl-5H-pyrrolo[3,2-d]pyrimidin-4-yl)oxy]phenyl}urea
CID 52940980
N-{4-[(5-methyl-5H-pyrrolo[3,2-d]pyrimidin-4-yl)oxy]phenyl}-N'-phenylurea
CID 52950146
4-N-butyl-5-(2-phenoxyethyl)pyrrolo[3,2-d]pyrimidine-2,4-diamine
CID 117887507
N-[2-(1,3-difluoropropan-2-yloxy)-4-fluorophenyl]-5-methylpyrrolo[3,2-d]pyrimidin-4-amine
CID 137351813
N-(2,3-dimethylimidazo[1,2-a]pyridin-6-yl)-2-[4-(trifluoromethoxy)phenoxy]acetamide
CID 127029623
N-methyl-N'-{4-[(5-methyl-5H-pyrrolo[3,2-d]pyrimidin-4-yl)oxy]phenyl}urea
CID 52946373
N-{4-[(5-methyl-5H-pyrrolo[3,2-d]pyrimidin-4-yl)oxy]phenyl}-N'-propylurea
CID 52947605
US10150728, Example I-711
CID 122497371
US10150728, Example I-741
CID 122497405
US10150728, Example I-700
CID 122497416
US10150728, Example I-716
CID 122497597
US10150728, Example I-669
CID 122497689

Frequently Asked Questions

What is the IUPAC name of N-[(2S)-1-[4-[6-(2,2-difluoroethoxy)-7-fluoro-1-methylimidazo[4,5-c]pyridin-2-yl]oxycyclohexyl]oxypropan-2-yl]acetamide?
The IUPAC name of N-[(2S)-1-[4-[6-(2,2-difluoroethoxy)-7-fluoro-1-methylimidazo[4,5-c]pyridin-2-yl]oxycyclohexyl]oxypropan-2-yl]acetamide (CID 122497806) is N-[(2S)-1-[4-[6-(2,2-difluoroethoxy)-7-fluoro-1-methylimidazo[4,5-c]pyridin-2-yl]oxycyclohexyl]oxypropan-2-yl]acetamide.
What is the SMILES notation for N-[(2S)-1-[4-[6-(2,2-difluoroethoxy)-7-fluoro-1-methylimidazo[4,5-c]pyridin-2-yl]oxycyclohexyl]oxypropan-2-yl]acetamide?
The canonical SMILES for N-[(2S)-1-[4-[6-(2,2-difluoroethoxy)-7-fluoro-1-methylimidazo[4,5-c]pyridin-2-yl]oxycyclohexyl]oxypropan-2-yl]acetamide is CC(=O)N[C@@H](C)COC1CCC(Oc2nc3cnc(OCC(F)F)c(F)c3n2C)CC1.
What is the InChIKey of N-[(2S)-1-[4-[6-(2,2-difluoroethoxy)-7-fluoro-1-methylimidazo[4,5-c]pyridin-2-yl]oxycyclohexyl]oxypropan-2-yl]acetamide?
The InChIKey is PUCFWQFHTPXRFT-XGNXJENSSA-N. The full InChI is InChI=1S/C20H27F3N4O4/c1-11(25-12(2)28)9-29-13-4-6-14(7-5-13)31-20-26-15-8-24-19(30-10-16(21)22)17(23)18(15)27(20)3/h8,11,13-14,16H,4-7,9-10H2,1-3H3,(H,25,28)/t11-,13?,14?/m0/s1.
What are the key properties of N-[(2S)-1-[4-[6-(2,2-difluoroethoxy)-7-fluoro-1-methylimidazo[4,5-c]pyridin-2-yl]oxycyclohexyl]oxypropan-2-yl]acetamide?
N-[(2S)-1-[4-[6-(2,2-difluoroethoxy)-7-fluoro-1-methylimidazo[4,5-c]pyridin-2-yl]oxycyclohexyl]oxypropan-2-yl]acetamide has a molecular weight of 444.45 g/mol, XLogP of 2.98, 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-[6-(2,2-difluoroethoxy)-7-fluoro-1-methylimidazo[4,5-c]pyridin-2-yl]oxycyclohexyl]oxypropan-2-yl]acetamide is sourced from PubChem (CID 122497806), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).