6-[5-(2-fluoro-4-methoxyphenyl)thiophen-2-yl]-1-methyl-2-(3-phenylmethoxypropyl)imidazo[4,5-c]pyridin-4-amine

C28H27FN4O2S — CID 150366910

IUPAC6-[5-(2-fluoro-4-methoxyphenyl)thiophen-2-yl]-1-methyl-2-(3-phenylmethoxypropyl)imidazo[4,5-c]pyridin-4-amine
SMILESCOc1ccc(-c2ccc(-c3cc4c(nc(CCCOCc5ccccc5)n4C)c(N)n3)s2)c(F)c1
InChIInChI=1S/C28H27FN4O2S/c1-33-23-16-22(25-13-12-24(36-25)20-11-10-19(34-2)15-21(20)29)31-28(30)27(23)32-26(33)9-6-14-35-17-18-7-4-3-5-8-18/h3-5,7-8,10-13,15-16H,6,9,14,17H2,1-2H3,(H2,30,31)
InChIKeyGWXGYCMFSMOCKR-UHFFFAOYSA-N
MW502.62 g/mol
LogP6.24
Rot. Bonds9

About 6-[5-(2-fluoro-4-methoxyphenyl)thiophen-2-yl]-1-methyl-2-(3-phenylmethoxypropyl)imidazo[4,5-c]pyridin-4-amine

6-[5-(2-fluoro-4-methoxyphenyl)thiophen-2-yl]-1-methyl-2-(3-phenylmethoxypropyl)imidazo[4,5-c]pyridin-4-amine (PubChem CID 150366910) has the molecular formula C28H27FN4O2S and a molecular weight of 502.62 g/mol. Its IUPAC name is 6-[5-(2-fluoro-4-methoxyphenyl)thiophen-2-yl]-1-methyl-2-(3-phenylmethoxypropyl)imidazo[4,5-c]pyridin-4-amine.

Molecular Properties

Compound Name6-[5-(2-fluoro-4-methoxyphenyl)thiophen-2-yl]-1-methyl-2-(3-phenylmethoxypropyl)imidazo[4,5-c]pyridin-4-amine
PubChem CID150366910
Molecular FormulaC28H27FN4O2S
Molecular Weight502.62 g/mol
Exact Mass502.18
IUPAC Name6-[5-(2-fluoro-4-methoxyphenyl)thiophen-2-yl]-1-methyl-2-(3-phenylmethoxypropyl)imidazo[4,5-c]pyridin-4-amine
SMILESCOc1ccc(-c2ccc(-c3cc4c(nc(CCCOCc5ccccc5)n4C)c(N)n3)s2)c(F)c1
InChIInChI=1S/C28H27FN4O2S/c1-33-23-16-22(25-13-12-24(36-25)20-11-10-19(34-2)15-21(20)29)31-28(30)27(23)32-26(33)9-6-14-35-17-18-7-4-3-5-8-18/h3-5,7-8,10-13,15-16H,6,9,14,17H2,1-2H3,(H2,30,31)
InChIKeyGWXGYCMFSMOCKR-UHFFFAOYSA-N
XLogP6.24
TPSA75.19 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds9
Heavy Atoms36
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500502.62
LogP ≤ 56.24
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

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 6-[5-(2-fluoro-4-methoxyphenyl)thiophen-2-yl]-1-methyl-2-(3-phenylmethoxypropyl)imidazo[4,5-c]pyridin-4-amine?
The IUPAC name of 6-[5-(2-fluoro-4-methoxyphenyl)thiophen-2-yl]-1-methyl-2-(3-phenylmethoxypropyl)imidazo[4,5-c]pyridin-4-amine (CID 150366910) is 6-[5-(2-fluoro-4-methoxyphenyl)thiophen-2-yl]-1-methyl-2-(3-phenylmethoxypropyl)imidazo[4,5-c]pyridin-4-amine.
What is the SMILES notation for 6-[5-(2-fluoro-4-methoxyphenyl)thiophen-2-yl]-1-methyl-2-(3-phenylmethoxypropyl)imidazo[4,5-c]pyridin-4-amine?
The canonical SMILES for 6-[5-(2-fluoro-4-methoxyphenyl)thiophen-2-yl]-1-methyl-2-(3-phenylmethoxypropyl)imidazo[4,5-c]pyridin-4-amine is COc1ccc(-c2ccc(-c3cc4c(nc(CCCOCc5ccccc5)n4C)c(N)n3)s2)c(F)c1.
What is the InChIKey of 6-[5-(2-fluoro-4-methoxyphenyl)thiophen-2-yl]-1-methyl-2-(3-phenylmethoxypropyl)imidazo[4,5-c]pyridin-4-amine?
The InChIKey is GWXGYCMFSMOCKR-UHFFFAOYSA-N. The full InChI is InChI=1S/C28H27FN4O2S/c1-33-23-16-22(25-13-12-24(36-25)20-11-10-19(34-2)15-21(20)29)31-28(30)27(23)32-26(33)9-6-14-35-17-18-7-4-3-5-8-18/h3-5,7-8,10-13,15-16H,6,9,14,17H2,1-2H3,(H2,30,31).
What are the key properties of 6-[5-(2-fluoro-4-methoxyphenyl)thiophen-2-yl]-1-methyl-2-(3-phenylmethoxypropyl)imidazo[4,5-c]pyridin-4-amine?
6-[5-(2-fluoro-4-methoxyphenyl)thiophen-2-yl]-1-methyl-2-(3-phenylmethoxypropyl)imidazo[4,5-c]pyridin-4-amine has a molecular weight of 502.62 g/mol, XLogP of 6.24, 9 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 6-[5-(2-fluoro-4-methoxyphenyl)thiophen-2-yl]-1-methyl-2-(3-phenylmethoxypropyl)imidazo[4,5-c]pyridin-4-amine is sourced from PubChem (CID 150366910), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).