N-[2-(4-methoxypiperidin-1-yl)pyrimidin-4-yl]-2-[2-[2-[2-[2-(2-phenylmethoxyethoxy)ethoxy]ethoxy]ethoxy]ethoxymethyl]-1-propan-2-ylimidazo[4,5-c]pyridin-6-amine

C37H53N7O7 — CID 135157105

IUPACN-[2-(4-methoxypiperidin-1-yl)pyrimidin-4-yl]-2-[2-[2-[2-[2-(2-phenylmethoxyethoxy)ethoxy]ethoxy]ethoxy]ethoxymethyl]-1-propan-2-ylimidazo[4,5-c]pyridin-6-amine
SMILESCOC1CCN(c2nccc(Nc3cc4c(cn3)nc(COCCOCCOCCOCCOCCOCc3ccccc3)n4C(C)C)n2)CC1
InChIInChI=1S/C37H53N7O7/c1-29(2)44-33-25-35(41-34-9-12-38-37(42-34)43-13-10-31(45-3)11-14-43)39-26-32(33)40-36(44)28-51-24-22-49-20-18-47-16-15-46-17-19-48-21-23-50-27-30-7-5-4-6-8-30/h4-9,12,25-26,29,31H,10-11,13-24,27-28H2,1-3H3,(H,38,39,41,42)
InChIKeyFZXHBPHYHHSMIK-UHFFFAOYSA-N
MW707.87 g/mol
LogP4.96
Rot. Bonds24

About N-[2-(4-methoxypiperidin-1-yl)pyrimidin-4-yl]-2-[2-[2-[2-[2-(2-phenylmethoxyethoxy)ethoxy]ethoxy]ethoxy]ethoxymethyl]-1-propan-2-ylimidazo[4,5-c]pyridin-6-amine

N-[2-(4-methoxypiperidin-1-yl)pyrimidin-4-yl]-2-[2-[2-[2-[2-(2-phenylmethoxyethoxy)ethoxy]ethoxy]ethoxy]ethoxymethyl]-1-propan-2-ylimidazo[4,5-c]pyridin-6-amine (PubChem CID 135157105) has the molecular formula C37H53N7O7 and a molecular weight of 707.87 g/mol. Its IUPAC name is N-[2-(4-methoxypiperidin-1-yl)pyrimidin-4-yl]-2-[2-[2-[2-[2-(2-phenylmethoxyethoxy)ethoxy]ethoxy]ethoxy]ethoxymethyl]-1-propan-2-ylimidazo[4,5-c]pyridin-6-amine.

Molecular Properties

Compound NameN-[2-(4-methoxypiperidin-1-yl)pyrimidin-4-yl]-2-[2-[2-[2-[2-(2-phenylmethoxyethoxy)ethoxy]ethoxy]ethoxy]ethoxymethyl]-1-propan-2-ylimidazo[4,5-c]pyridin-6-amine
PubChem CID135157105
Molecular FormulaC37H53N7O7
Molecular Weight707.87 g/mol
Exact Mass707.40
IUPAC NameN-[2-(4-methoxypiperidin-1-yl)pyrimidin-4-yl]-2-[2-[2-[2-[2-(2-phenylmethoxyethoxy)ethoxy]ethoxy]ethoxy]ethoxymethyl]-1-propan-2-ylimidazo[4,5-c]pyridin-6-amine
SMILESCOC1CCN(c2nccc(Nc3cc4c(cn3)nc(COCCOCCOCCOCCOCCOCc3ccccc3)n4C(C)C)n2)CC1
InChIInChI=1S/C37H53N7O7/c1-29(2)44-33-25-35(41-34-9-12-38-37(42-34)43-13-10-31(45-3)11-14-43)39-26-32(33)40-36(44)28-51-24-22-49-20-18-47-16-15-46-17-19-48-21-23-50-27-30-7-5-4-6-8-30/h4-9,12,25-26,29,31H,10-11,13-24,27-28H2,1-3H3,(H,38,39,41,42)
InChIKeyFZXHBPHYHHSMIK-UHFFFAOYSA-N
XLogP4.96
TPSA136.37 Ų
H-Bond Donors1
H-Bond Acceptors14
Rotatable Bonds24
Heavy Atoms51
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500707.87
LogP ≤ 54.96
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 1014

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of N-[2-(4-methoxypiperidin-1-yl)pyrimidin-4-yl]-2-[2-[2-[2-[2-(2-phenylmethoxyethoxy)ethoxy]ethoxy]ethoxy]ethoxymethyl]-1-propan-2-ylimidazo[4,5-c]pyridin-6-amine?
The IUPAC name of N-[2-(4-methoxypiperidin-1-yl)pyrimidin-4-yl]-2-[2-[2-[2-[2-(2-phenylmethoxyethoxy)ethoxy]ethoxy]ethoxy]ethoxymethyl]-1-propan-2-ylimidazo[4,5-c]pyridin-6-amine (CID 135157105) is N-[2-(4-methoxypiperidin-1-yl)pyrimidin-4-yl]-2-[2-[2-[2-[2-(2-phenylmethoxyethoxy)ethoxy]ethoxy]ethoxy]ethoxymethyl]-1-propan-2-ylimidazo[4,5-c]pyridin-6-amine.
What is the SMILES notation for N-[2-(4-methoxypiperidin-1-yl)pyrimidin-4-yl]-2-[2-[2-[2-[2-(2-phenylmethoxyethoxy)ethoxy]ethoxy]ethoxy]ethoxymethyl]-1-propan-2-ylimidazo[4,5-c]pyridin-6-amine?
The canonical SMILES for N-[2-(4-methoxypiperidin-1-yl)pyrimidin-4-yl]-2-[2-[2-[2-[2-(2-phenylmethoxyethoxy)ethoxy]ethoxy]ethoxy]ethoxymethyl]-1-propan-2-ylimidazo[4,5-c]pyridin-6-amine is COC1CCN(c2nccc(Nc3cc4c(cn3)nc(COCCOCCOCCOCCOCCOCc3ccccc3)n4C(C)C)n2)CC1.
What is the InChIKey of N-[2-(4-methoxypiperidin-1-yl)pyrimidin-4-yl]-2-[2-[2-[2-[2-(2-phenylmethoxyethoxy)ethoxy]ethoxy]ethoxy]ethoxymethyl]-1-propan-2-ylimidazo[4,5-c]pyridin-6-amine?
The InChIKey is FZXHBPHYHHSMIK-UHFFFAOYSA-N. The full InChI is InChI=1S/C37H53N7O7/c1-29(2)44-33-25-35(41-34-9-12-38-37(42-34)43-13-10-31(45-3)11-14-43)39-26-32(33)40-36(44)28-51-24-22-49-20-18-47-16-15-46-17-19-48-21-23-50-27-30-7-5-4-6-8-30/h4-9,12,25-26,29,31H,10-11,13-24,27-28H2,1-3H3,(H,38,39,41,42).
What are the key properties of N-[2-(4-methoxypiperidin-1-yl)pyrimidin-4-yl]-2-[2-[2-[2-[2-(2-phenylmethoxyethoxy)ethoxy]ethoxy]ethoxy]ethoxymethyl]-1-propan-2-ylimidazo[4,5-c]pyridin-6-amine?
N-[2-(4-methoxypiperidin-1-yl)pyrimidin-4-yl]-2-[2-[2-[2-[2-(2-phenylmethoxyethoxy)ethoxy]ethoxy]ethoxy]ethoxymethyl]-1-propan-2-ylimidazo[4,5-c]pyridin-6-amine has a molecular weight of 707.87 g/mol, XLogP of 4.96, 24 rotatable bonds, 1 hydrogen bond donors, and 14 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-(4-methoxypiperidin-1-yl)pyrimidin-4-yl]-2-[2-[2-[2-[2-(2-phenylmethoxyethoxy)ethoxy]ethoxy]ethoxy]ethoxymethyl]-1-propan-2-ylimidazo[4,5-c]pyridin-6-amine is sourced from PubChem (CID 135157105), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).