N'-[2-(5-chloro-2,4-dimethoxyphenyl)-7-methoxyimidazo[1,2-a]pyridin-6-yl]ethane-1,2-diamine

C18H21ClN4O3 — CID 135334973

IUPACN'-[2-(5-chloro-2,4-dimethoxyphenyl)-7-methoxyimidazo[1,2-a]pyridin-6-yl]ethane-1,2-diamine
SMILESCOc1cc(OC)c(-c2cn3cc(NCCN)c(OC)cc3n2)cc1Cl
InChIInChI=1S/C18H21ClN4O3/c1-24-15-7-16(25-2)12(19)6-11(15)13-9-23-10-14(21-5-4-20)17(26-3)8-18(23)22-13/h6-10,21H,4-5,20H2,1-3H3
InChIKeyRIIHQKJBNQOTEX-UHFFFAOYSA-N
MW376.84 g/mol
LogP3.05
Rot. Bonds7

About N'-[2-(5-chloro-2,4-dimethoxyphenyl)-7-methoxyimidazo[1,2-a]pyridin-6-yl]ethane-1,2-diamine

N'-[2-(5-chloro-2,4-dimethoxyphenyl)-7-methoxyimidazo[1,2-a]pyridin-6-yl]ethane-1,2-diamine (PubChem CID 135334973) has the molecular formula C18H21ClN4O3 and a molecular weight of 376.84 g/mol. Its IUPAC name is N'-[2-(5-chloro-2,4-dimethoxyphenyl)-7-methoxyimidazo[1,2-a]pyridin-6-yl]ethane-1,2-diamine.

Molecular Properties

Compound NameN'-[2-(5-chloro-2,4-dimethoxyphenyl)-7-methoxyimidazo[1,2-a]pyridin-6-yl]ethane-1,2-diamine
PubChem CID135334973
Molecular FormulaC18H21ClN4O3
Molecular Weight376.84 g/mol
Exact Mass376.13
IUPAC NameN'-[2-(5-chloro-2,4-dimethoxyphenyl)-7-methoxyimidazo[1,2-a]pyridin-6-yl]ethane-1,2-diamine
SMILESCOc1cc(OC)c(-c2cn3cc(NCCN)c(OC)cc3n2)cc1Cl
InChIInChI=1S/C18H21ClN4O3/c1-24-15-7-16(25-2)12(19)6-11(15)13-9-23-10-14(21-5-4-20)17(26-3)8-18(23)22-13/h6-10,21H,4-5,20H2,1-3H3
InChIKeyRIIHQKJBNQOTEX-UHFFFAOYSA-N
XLogP3.05
TPSA83.04 Ų
H-Bond Donors2
H-Bond Acceptors7
Rotatable Bonds7
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500376.84
LogP ≤ 53.05
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 107

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Frequently Asked Questions

What is the IUPAC name of N'-[2-(5-chloro-2,4-dimethoxyphenyl)-7-methoxyimidazo[1,2-a]pyridin-6-yl]ethane-1,2-diamine?
The IUPAC name of N'-[2-(5-chloro-2,4-dimethoxyphenyl)-7-methoxyimidazo[1,2-a]pyridin-6-yl]ethane-1,2-diamine (CID 135334973) is N'-[2-(5-chloro-2,4-dimethoxyphenyl)-7-methoxyimidazo[1,2-a]pyridin-6-yl]ethane-1,2-diamine.
What is the SMILES notation for N'-[2-(5-chloro-2,4-dimethoxyphenyl)-7-methoxyimidazo[1,2-a]pyridin-6-yl]ethane-1,2-diamine?
The canonical SMILES for N'-[2-(5-chloro-2,4-dimethoxyphenyl)-7-methoxyimidazo[1,2-a]pyridin-6-yl]ethane-1,2-diamine is COc1cc(OC)c(-c2cn3cc(NCCN)c(OC)cc3n2)cc1Cl.
What is the InChIKey of N'-[2-(5-chloro-2,4-dimethoxyphenyl)-7-methoxyimidazo[1,2-a]pyridin-6-yl]ethane-1,2-diamine?
The InChIKey is RIIHQKJBNQOTEX-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H21ClN4O3/c1-24-15-7-16(25-2)12(19)6-11(15)13-9-23-10-14(21-5-4-20)17(26-3)8-18(23)22-13/h6-10,21H,4-5,20H2,1-3H3.
What are the key properties of N'-[2-(5-chloro-2,4-dimethoxyphenyl)-7-methoxyimidazo[1,2-a]pyridin-6-yl]ethane-1,2-diamine?
N'-[2-(5-chloro-2,4-dimethoxyphenyl)-7-methoxyimidazo[1,2-a]pyridin-6-yl]ethane-1,2-diamine has a molecular weight of 376.84 g/mol, XLogP of 3.05, 7 rotatable bonds, 2 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for N'-[2-(5-chloro-2,4-dimethoxyphenyl)-7-methoxyimidazo[1,2-a]pyridin-6-yl]ethane-1,2-diamine is sourced from PubChem (CID 135334973), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).