6-(3-chloro-4-fluorophenyl)-1-[(3,4-dimethoxyphenyl)methyl]-N-methylimidazo[4,5-c]pyridin-2-amine

C22H20ClFN4O2 — CID 155564784

IUPAC6-(3-chloro-4-fluorophenyl)-1-[(3,4-dimethoxyphenyl)methyl]-N-methylimidazo[4,5-c]pyridin-2-amine
SMILESCNc1nc2cnc(-c3ccc(F)c(Cl)c3)cc2n1Cc1ccc(OC)c(OC)c1
InChIInChI=1S/C22H20ClFN4O2/c1-25-22-27-18-11-26-17(14-5-6-16(24)15(23)9-14)10-19(18)28(22)12-13-4-7-20(29-2)21(8-13)30-3/h4-11H,12H2,1-3H3,(H,25,27)
InChIKeyDPDNANNHAOSGDM-UHFFFAOYSA-N
MW426.88 g/mol
LogP5.00
Rot. Bonds6

About 6-(3-chloro-4-fluorophenyl)-1-[(3,4-dimethoxyphenyl)methyl]-N-methylimidazo[4,5-c]pyridin-2-amine

6-(3-chloro-4-fluorophenyl)-1-[(3,4-dimethoxyphenyl)methyl]-N-methylimidazo[4,5-c]pyridin-2-amine (PubChem CID 155564784) has the molecular formula C22H20ClFN4O2 and a molecular weight of 426.88 g/mol. Its IUPAC name is 6-(3-chloro-4-fluorophenyl)-1-[(3,4-dimethoxyphenyl)methyl]-N-methylimidazo[4,5-c]pyridin-2-amine.

Molecular Properties

Compound Name6-(3-chloro-4-fluorophenyl)-1-[(3,4-dimethoxyphenyl)methyl]-N-methylimidazo[4,5-c]pyridin-2-amine
PubChem CID155564784
Molecular FormulaC22H20ClFN4O2
Molecular Weight426.88 g/mol
Exact Mass426.13
IUPAC Name6-(3-chloro-4-fluorophenyl)-1-[(3,4-dimethoxyphenyl)methyl]-N-methylimidazo[4,5-c]pyridin-2-amine
SMILESCNc1nc2cnc(-c3ccc(F)c(Cl)c3)cc2n1Cc1ccc(OC)c(OC)c1
InChIInChI=1S/C22H20ClFN4O2/c1-25-22-27-18-11-26-17(14-5-6-16(24)15(23)9-14)10-19(18)28(22)12-13-4-7-20(29-2)21(8-13)30-3/h4-11H,12H2,1-3H3,(H,25,27)
InChIKeyDPDNANNHAOSGDM-UHFFFAOYSA-N
XLogP5.00
TPSA61.20 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds6
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500426.88
LogP ≤ 55.00
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of 6-(3-chloro-4-fluorophenyl)-1-[(3,4-dimethoxyphenyl)methyl]-N-methylimidazo[4,5-c]pyridin-2-amine?
The IUPAC name of 6-(3-chloro-4-fluorophenyl)-1-[(3,4-dimethoxyphenyl)methyl]-N-methylimidazo[4,5-c]pyridin-2-amine (CID 155564784) is 6-(3-chloro-4-fluorophenyl)-1-[(3,4-dimethoxyphenyl)methyl]-N-methylimidazo[4,5-c]pyridin-2-amine.
What is the SMILES notation for 6-(3-chloro-4-fluorophenyl)-1-[(3,4-dimethoxyphenyl)methyl]-N-methylimidazo[4,5-c]pyridin-2-amine?
The canonical SMILES for 6-(3-chloro-4-fluorophenyl)-1-[(3,4-dimethoxyphenyl)methyl]-N-methylimidazo[4,5-c]pyridin-2-amine is CNc1nc2cnc(-c3ccc(F)c(Cl)c3)cc2n1Cc1ccc(OC)c(OC)c1.
What is the InChIKey of 6-(3-chloro-4-fluorophenyl)-1-[(3,4-dimethoxyphenyl)methyl]-N-methylimidazo[4,5-c]pyridin-2-amine?
The InChIKey is DPDNANNHAOSGDM-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H20ClFN4O2/c1-25-22-27-18-11-26-17(14-5-6-16(24)15(23)9-14)10-19(18)28(22)12-13-4-7-20(29-2)21(8-13)30-3/h4-11H,12H2,1-3H3,(H,25,27).
What are the key properties of 6-(3-chloro-4-fluorophenyl)-1-[(3,4-dimethoxyphenyl)methyl]-N-methylimidazo[4,5-c]pyridin-2-amine?
6-(3-chloro-4-fluorophenyl)-1-[(3,4-dimethoxyphenyl)methyl]-N-methylimidazo[4,5-c]pyridin-2-amine has a molecular weight of 426.88 g/mol, XLogP of 5.00, 6 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 6-(3-chloro-4-fluorophenyl)-1-[(3,4-dimethoxyphenyl)methyl]-N-methylimidazo[4,5-c]pyridin-2-amine is sourced from PubChem (CID 155564784), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).