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

C24H34F2N4O4 — CID 122497705

IUPACN-[(2S)-1-[4-[2-(4,4-difluorocyclohexyl)oxy-3-methylimidazo[4,5-b]pyridin-5-yl]oxycyclohexyl]oxypropan-2-yl]acetamide
SMILESCC(=O)N[C@@H](C)COC1CCC(Oc2ccc3nc(OC4CCC(F)(F)CC4)n(C)c3n2)CC1
InChIInChI=1S/C24H34F2N4O4/c1-15(27-16(2)31)14-32-17-4-6-18(7-5-17)33-21-9-8-20-22(29-21)30(3)23(28-20)34-19-10-12-24(25,26)13-11-19/h8-9,15,17-19H,4-7,10-14H2,1-3H3,(H,27,31)/t15-,17?,18?/m0/s1
InChIKeyGYEGIKPTIYBDQJ-ZLPCBKJTSA-N
MW480.56 g/mol
LogP4.16
Rot. Bonds8

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

N-[(2S)-1-[4-[2-(4,4-difluorocyclohexyl)oxy-3-methylimidazo[4,5-b]pyridin-5-yl]oxycyclohexyl]oxypropan-2-yl]acetamide (PubChem CID 122497705) has the molecular formula C24H34F2N4O4 and a molecular weight of 480.56 g/mol. Its IUPAC name is N-[(2S)-1-[4-[2-(4,4-difluorocyclohexyl)oxy-3-methylimidazo[4,5-b]pyridin-5-yl]oxycyclohexyl]oxypropan-2-yl]acetamide.

Molecular Properties

Compound NameN-[(2S)-1-[4-[2-(4,4-difluorocyclohexyl)oxy-3-methylimidazo[4,5-b]pyridin-5-yl]oxycyclohexyl]oxypropan-2-yl]acetamide
PubChem CID122497705
Molecular FormulaC24H34F2N4O4
Molecular Weight480.56 g/mol
Exact Mass480.25
IUPAC NameN-[(2S)-1-[4-[2-(4,4-difluorocyclohexyl)oxy-3-methylimidazo[4,5-b]pyridin-5-yl]oxycyclohexyl]oxypropan-2-yl]acetamide
SMILESCC(=O)N[C@@H](C)COC1CCC(Oc2ccc3nc(OC4CCC(F)(F)CC4)n(C)c3n2)CC1
InChIInChI=1S/C24H34F2N4O4/c1-15(27-16(2)31)14-32-17-4-6-18(7-5-17)33-21-9-8-20-22(29-21)30(3)23(28-20)34-19-10-12-24(25,26)13-11-19/h8-9,15,17-19H,4-7,10-14H2,1-3H3,(H,27,31)/t15-,17?,18?/m0/s1
InChIKeyGYEGIKPTIYBDQJ-ZLPCBKJTSA-N
XLogP4.16
TPSA87.50 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds8
Heavy Atoms34
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500480.56
LogP ≤ 54.16
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-(4,4-difluorocyclohexyl)oxy-3-methylimidazo[4,5-b]pyridin-5-yl]oxycyclohexyl]oxypropan-2-yl]acetamide?
The IUPAC name of N-[(2S)-1-[4-[2-(4,4-difluorocyclohexyl)oxy-3-methylimidazo[4,5-b]pyridin-5-yl]oxycyclohexyl]oxypropan-2-yl]acetamide (CID 122497705) is N-[(2S)-1-[4-[2-(4,4-difluorocyclohexyl)oxy-3-methylimidazo[4,5-b]pyridin-5-yl]oxycyclohexyl]oxypropan-2-yl]acetamide.
What is the SMILES notation for N-[(2S)-1-[4-[2-(4,4-difluorocyclohexyl)oxy-3-methylimidazo[4,5-b]pyridin-5-yl]oxycyclohexyl]oxypropan-2-yl]acetamide?
The canonical SMILES for N-[(2S)-1-[4-[2-(4,4-difluorocyclohexyl)oxy-3-methylimidazo[4,5-b]pyridin-5-yl]oxycyclohexyl]oxypropan-2-yl]acetamide is CC(=O)N[C@@H](C)COC1CCC(Oc2ccc3nc(OC4CCC(F)(F)CC4)n(C)c3n2)CC1.
What is the InChIKey of N-[(2S)-1-[4-[2-(4,4-difluorocyclohexyl)oxy-3-methylimidazo[4,5-b]pyridin-5-yl]oxycyclohexyl]oxypropan-2-yl]acetamide?
The InChIKey is GYEGIKPTIYBDQJ-ZLPCBKJTSA-N. The full InChI is InChI=1S/C24H34F2N4O4/c1-15(27-16(2)31)14-32-17-4-6-18(7-5-17)33-21-9-8-20-22(29-21)30(3)23(28-20)34-19-10-12-24(25,26)13-11-19/h8-9,15,17-19H,4-7,10-14H2,1-3H3,(H,27,31)/t15-,17?,18?/m0/s1.
What are the key properties of N-[(2S)-1-[4-[2-(4,4-difluorocyclohexyl)oxy-3-methylimidazo[4,5-b]pyridin-5-yl]oxycyclohexyl]oxypropan-2-yl]acetamide?
N-[(2S)-1-[4-[2-(4,4-difluorocyclohexyl)oxy-3-methylimidazo[4,5-b]pyridin-5-yl]oxycyclohexyl]oxypropan-2-yl]acetamide has a molecular weight of 480.56 g/mol, XLogP of 4.16, 8 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-(4,4-difluorocyclohexyl)oxy-3-methylimidazo[4,5-b]pyridin-5-yl]oxycyclohexyl]oxypropan-2-yl]acetamide is sourced from PubChem (CID 122497705), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).