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

C25H31FN4O4 — CID 122497730

IUPACN-[(2S)-1-[4-(7-fluoro-1-methyl-6-phenylmethoxyimidazo[4,5-c]pyridin-2-yl)oxycyclohexyl]oxypropan-2-yl]acetamide
SMILESCC(=O)N[C@@H](C)COC1CCC(Oc2nc3cnc(OCc4ccccc4)c(F)c3n2C)CC1
InChIInChI=1S/C25H31FN4O4/c1-16(28-17(2)31)14-32-19-9-11-20(12-10-19)34-25-29-21-13-27-24(22(26)23(21)30(25)3)33-15-18-7-5-4-6-8-18/h4-8,13,16,19-20H,9-12,14-15H2,1-3H3,(H,28,31)/t16-,19?,20?/m0/s1
InChIKeyGICYAGXRJXTBHN-DZIBYMRMSA-N
MW470.55 g/mol
LogP3.92
Rot. Bonds9

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

N-[(2S)-1-[4-(7-fluoro-1-methyl-6-phenylmethoxyimidazo[4,5-c]pyridin-2-yl)oxycyclohexyl]oxypropan-2-yl]acetamide (PubChem CID 122497730) has the molecular formula C25H31FN4O4 and a molecular weight of 470.55 g/mol. Its IUPAC name is N-[(2S)-1-[4-(7-fluoro-1-methyl-6-phenylmethoxyimidazo[4,5-c]pyridin-2-yl)oxycyclohexyl]oxypropan-2-yl]acetamide.

Molecular Properties

Compound NameN-[(2S)-1-[4-(7-fluoro-1-methyl-6-phenylmethoxyimidazo[4,5-c]pyridin-2-yl)oxycyclohexyl]oxypropan-2-yl]acetamide
PubChem CID122497730
Molecular FormulaC25H31FN4O4
Molecular Weight470.55 g/mol
Exact Mass470.23
IUPAC NameN-[(2S)-1-[4-(7-fluoro-1-methyl-6-phenylmethoxyimidazo[4,5-c]pyridin-2-yl)oxycyclohexyl]oxypropan-2-yl]acetamide
SMILESCC(=O)N[C@@H](C)COC1CCC(Oc2nc3cnc(OCc4ccccc4)c(F)c3n2C)CC1
InChIInChI=1S/C25H31FN4O4/c1-16(28-17(2)31)14-32-19-9-11-20(12-10-19)34-25-29-21-13-27-24(22(26)23(21)30(25)3)33-15-18-7-5-4-6-8-18/h4-8,13,16,19-20H,9-12,14-15H2,1-3H3,(H,28,31)/t16-,19?,20?/m0/s1
InChIKeyGICYAGXRJXTBHN-DZIBYMRMSA-N
XLogP3.92
TPSA87.50 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds9
Heavy Atoms34
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500470.55
LogP ≤ 53.92
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

Analyze N-[(2S)-1-[4-(7-fluoro-1-methyl-6-phenylmethoxyimidazo[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

Frequently Asked Questions

What is the IUPAC name of N-[(2S)-1-[4-(7-fluoro-1-methyl-6-phenylmethoxyimidazo[4,5-c]pyridin-2-yl)oxycyclohexyl]oxypropan-2-yl]acetamide?
The IUPAC name of N-[(2S)-1-[4-(7-fluoro-1-methyl-6-phenylmethoxyimidazo[4,5-c]pyridin-2-yl)oxycyclohexyl]oxypropan-2-yl]acetamide (CID 122497730) is N-[(2S)-1-[4-(7-fluoro-1-methyl-6-phenylmethoxyimidazo[4,5-c]pyridin-2-yl)oxycyclohexyl]oxypropan-2-yl]acetamide.
What is the SMILES notation for N-[(2S)-1-[4-(7-fluoro-1-methyl-6-phenylmethoxyimidazo[4,5-c]pyridin-2-yl)oxycyclohexyl]oxypropan-2-yl]acetamide?
The canonical SMILES for N-[(2S)-1-[4-(7-fluoro-1-methyl-6-phenylmethoxyimidazo[4,5-c]pyridin-2-yl)oxycyclohexyl]oxypropan-2-yl]acetamide is CC(=O)N[C@@H](C)COC1CCC(Oc2nc3cnc(OCc4ccccc4)c(F)c3n2C)CC1.
What is the InChIKey of N-[(2S)-1-[4-(7-fluoro-1-methyl-6-phenylmethoxyimidazo[4,5-c]pyridin-2-yl)oxycyclohexyl]oxypropan-2-yl]acetamide?
The InChIKey is GICYAGXRJXTBHN-DZIBYMRMSA-N. The full InChI is InChI=1S/C25H31FN4O4/c1-16(28-17(2)31)14-32-19-9-11-20(12-10-19)34-25-29-21-13-27-24(22(26)23(21)30(25)3)33-15-18-7-5-4-6-8-18/h4-8,13,16,19-20H,9-12,14-15H2,1-3H3,(H,28,31)/t16-,19?,20?/m0/s1.
What are the key properties of N-[(2S)-1-[4-(7-fluoro-1-methyl-6-phenylmethoxyimidazo[4,5-c]pyridin-2-yl)oxycyclohexyl]oxypropan-2-yl]acetamide?
N-[(2S)-1-[4-(7-fluoro-1-methyl-6-phenylmethoxyimidazo[4,5-c]pyridin-2-yl)oxycyclohexyl]oxypropan-2-yl]acetamide has a molecular weight of 470.55 g/mol, XLogP of 3.92, 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-(7-fluoro-1-methyl-6-phenylmethoxyimidazo[4,5-c]pyridin-2-yl)oxycyclohexyl]oxypropan-2-yl]acetamide is sourced from PubChem (CID 122497730), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).