4-N-[(2,4-dimethoxyphenyl)methyl]-6-N-(2-ethyl-4,6-difluorophenyl)-1-methylimidazo[4,5-c]pyridine-4,6-diamine

C24H25F2N5O2 — CID 126485380

IUPAC4-N-[(2,4-dimethoxyphenyl)methyl]-6-N-(2-ethyl-4,6-difluorophenyl)-1-methylimidazo[4,5-c]pyridine-4,6-diamine
SMILESCCc1cc(F)cc(F)c1Nc1cc2c(ncn2C)c(NCc2ccc(OC)cc2OC)n1
InChIInChI=1S/C24H25F2N5O2/c1-5-14-8-16(25)9-18(26)22(14)29-21-11-19-23(28-13-31(19)2)24(30-21)27-12-15-6-7-17(32-3)10-20(15)33-4/h6-11,13H,5,12H2,1-4H3,(H2,27,29,30)
InChIKeyHLAIJAQEHMFNNM-UHFFFAOYSA-N
MW453.49 g/mol
LogP5.18
Rot. Bonds8

About 4-N-[(2,4-dimethoxyphenyl)methyl]-6-N-(2-ethyl-4,6-difluorophenyl)-1-methylimidazo[4,5-c]pyridine-4,6-diamine

4-N-[(2,4-dimethoxyphenyl)methyl]-6-N-(2-ethyl-4,6-difluorophenyl)-1-methylimidazo[4,5-c]pyridine-4,6-diamine (PubChem CID 126485380) has the molecular formula C24H25F2N5O2 and a molecular weight of 453.49 g/mol. Its IUPAC name is 4-N-[(2,4-dimethoxyphenyl)methyl]-6-N-(2-ethyl-4,6-difluorophenyl)-1-methylimidazo[4,5-c]pyridine-4,6-diamine.

Molecular Properties

Compound Name4-N-[(2,4-dimethoxyphenyl)methyl]-6-N-(2-ethyl-4,6-difluorophenyl)-1-methylimidazo[4,5-c]pyridine-4,6-diamine
PubChem CID126485380
Molecular FormulaC24H25F2N5O2
Molecular Weight453.49 g/mol
Exact Mass453.20
IUPAC Name4-N-[(2,4-dimethoxyphenyl)methyl]-6-N-(2-ethyl-4,6-difluorophenyl)-1-methylimidazo[4,5-c]pyridine-4,6-diamine
SMILESCCc1cc(F)cc(F)c1Nc1cc2c(ncn2C)c(NCc2ccc(OC)cc2OC)n1
InChIInChI=1S/C24H25F2N5O2/c1-5-14-8-16(25)9-18(26)22(14)29-21-11-19-23(28-13-31(19)2)24(30-21)27-12-15-6-7-17(32-3)10-20(15)33-4/h6-11,13H,5,12H2,1-4H3,(H2,27,29,30)
InChIKeyHLAIJAQEHMFNNM-UHFFFAOYSA-N
XLogP5.18
TPSA73.23 Ų
H-Bond Donors2
H-Bond Acceptors7
Rotatable Bonds8
Heavy Atoms33
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500453.49
LogP ≤ 55.18
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 107

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Frequently Asked Questions

What is the IUPAC name of 4-N-[(2,4-dimethoxyphenyl)methyl]-6-N-(2-ethyl-4,6-difluorophenyl)-1-methylimidazo[4,5-c]pyridine-4,6-diamine?
The IUPAC name of 4-N-[(2,4-dimethoxyphenyl)methyl]-6-N-(2-ethyl-4,6-difluorophenyl)-1-methylimidazo[4,5-c]pyridine-4,6-diamine (CID 126485380) is 4-N-[(2,4-dimethoxyphenyl)methyl]-6-N-(2-ethyl-4,6-difluorophenyl)-1-methylimidazo[4,5-c]pyridine-4,6-diamine.
What is the SMILES notation for 4-N-[(2,4-dimethoxyphenyl)methyl]-6-N-(2-ethyl-4,6-difluorophenyl)-1-methylimidazo[4,5-c]pyridine-4,6-diamine?
The canonical SMILES for 4-N-[(2,4-dimethoxyphenyl)methyl]-6-N-(2-ethyl-4,6-difluorophenyl)-1-methylimidazo[4,5-c]pyridine-4,6-diamine is CCc1cc(F)cc(F)c1Nc1cc2c(ncn2C)c(NCc2ccc(OC)cc2OC)n1.
What is the InChIKey of 4-N-[(2,4-dimethoxyphenyl)methyl]-6-N-(2-ethyl-4,6-difluorophenyl)-1-methylimidazo[4,5-c]pyridine-4,6-diamine?
The InChIKey is HLAIJAQEHMFNNM-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H25F2N5O2/c1-5-14-8-16(25)9-18(26)22(14)29-21-11-19-23(28-13-31(19)2)24(30-21)27-12-15-6-7-17(32-3)10-20(15)33-4/h6-11,13H,5,12H2,1-4H3,(H2,27,29,30).
What are the key properties of 4-N-[(2,4-dimethoxyphenyl)methyl]-6-N-(2-ethyl-4,6-difluorophenyl)-1-methylimidazo[4,5-c]pyridine-4,6-diamine?
4-N-[(2,4-dimethoxyphenyl)methyl]-6-N-(2-ethyl-4,6-difluorophenyl)-1-methylimidazo[4,5-c]pyridine-4,6-diamine has a molecular weight of 453.49 g/mol, XLogP of 5.18, 8 rotatable bonds, 2 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 4-N-[(2,4-dimethoxyphenyl)methyl]-6-N-(2-ethyl-4,6-difluorophenyl)-1-methylimidazo[4,5-c]pyridine-4,6-diamine is sourced from PubChem (CID 126485380), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).