7-(aminomethyl)-6-(2,4-dichlorophenyl)-N-(oxan-3-ylmethyl)imidazo[1,2-a]pyridine-3-carboxamide

C21H22Cl2N4O2 — CID 143550617

IUPAC7-(aminomethyl)-6-(2,4-dichlorophenyl)-N-(oxan-3-ylmethyl)imidazo[1,2-a]pyridine-3-carboxamide
SMILESNCc1cc2ncc(C(=O)NCC3CCCOC3)n2cc1-c1ccc(Cl)cc1Cl
InChIInChI=1S/C21H22Cl2N4O2/c22-15-3-4-16(18(23)7-15)17-11-27-19(10-25-20(27)6-14(17)8-24)21(28)26-9-13-2-1-5-29-12-13/h3-4,6-7,10-11,13H,1-2,5,8-9,12,24H2,(H,26,28)
InChIKeyMTNMWIPJBWFMDJ-UHFFFAOYSA-N
MW433.34 g/mol
LogP3.92
Rot. Bonds5

About 7-(aminomethyl)-6-(2,4-dichlorophenyl)-N-(oxan-3-ylmethyl)imidazo[1,2-a]pyridine-3-carboxamide

7-(aminomethyl)-6-(2,4-dichlorophenyl)-N-(oxan-3-ylmethyl)imidazo[1,2-a]pyridine-3-carboxamide (PubChem CID 143550617) has the molecular formula C21H22Cl2N4O2 and a molecular weight of 433.34 g/mol. Its IUPAC name is 7-(aminomethyl)-6-(2,4-dichlorophenyl)-N-(oxan-3-ylmethyl)imidazo[1,2-a]pyridine-3-carboxamide.

Molecular Properties

Compound Name7-(aminomethyl)-6-(2,4-dichlorophenyl)-N-(oxan-3-ylmethyl)imidazo[1,2-a]pyridine-3-carboxamide
PubChem CID143550617
Molecular FormulaC21H22Cl2N4O2
Molecular Weight433.34 g/mol
Exact Mass432.11
IUPAC Name7-(aminomethyl)-6-(2,4-dichlorophenyl)-N-(oxan-3-ylmethyl)imidazo[1,2-a]pyridine-3-carboxamide
SMILESNCc1cc2ncc(C(=O)NCC3CCCOC3)n2cc1-c1ccc(Cl)cc1Cl
InChIInChI=1S/C21H22Cl2N4O2/c22-15-3-4-16(18(23)7-15)17-11-27-19(10-25-20(27)6-14(17)8-24)21(28)26-9-13-2-1-5-29-12-13/h3-4,6-7,10-11,13H,1-2,5,8-9,12,24H2,(H,26,28)
InChIKeyMTNMWIPJBWFMDJ-UHFFFAOYSA-N
XLogP3.92
TPSA81.65 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500433.34
LogP ≤ 53.92
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Related Compounds

Asn-007
CID 124122366
6-(aminomethyl)-5-(2,4-dichlorophenyl)-7-methyl-N-(2-(pyridin-2-yl)ethyl)imidazo[1,2-a]pyrimidine-2-carboxamide
CID 46900258
Sa-(+)-(6-(Aminomethyl)-5-(2,4-Dichlorophenyl)-7-Methylimidazo[1,2-A]pyrimidin-2-Yl)(Morpholino)methanone
CID 11546261
N-(2-Chlorophenyl)-6-(4-piperidinyl)imidazo[1,2-a]pyridine-3-carboxamide
CID 46175113
(6-(Aminomethyl)-5-(2,4-dichlorophenyl)-7-methylimidazo[1,2-a]pyrimidin-2-yl)(pyrrolidin-1-yl)methanone
CID 11567606
4-(6-(Aminomethyl)-5-(2,4-dichlorophenyl)-7-methylimidazo[1,2-a]pyrimidine-2-carbonyl)piperazin-2-one
CID 46899593
(6-(Aminomethyl)-5-(2,4-dichlorophenyl)-7-methylimidazo[1,2-a]pyrimidin-2-yl)(4-(methylsulfonyl)piperazin-1-yl)methanone
CID 46899596
(6-(Aminomethyl)-5-(2,4-dichlorophenyl)-7-methylimidazo[1,2-a]pyrimidin-2-yl)(4,4-dimethyloxazolidin-3-yl)methanone
CID 46899755
1-(6-(Aminomethyl)-5-(2,4-dichlorophenyl)-7-methylimidazo[1,2-a]pyrimidin-2-yl)-2-(pyridin-3-ylamino)ethanone
CID 46899937
6-(aminomethyl)-5-(2,4-dichlorophenyl)-N,7-dimethyl-N-(2-(pyridin-2-yl)ethyl)imidazo[1,2-a]pyrimidine-2-carboxamide
CID 46899941
6-(aminomethyl)-5-(2,4-dichlorophenyl)-N,7-dimethyl-N-(pyridin-4-ylmethyl)imidazo[1,2-a]pyrimidine-2-carboxamide
CID 46899942
6-(aminomethyl)-5-(2,4-dichlorophenyl)-7-methyl-N-(2-(pyridin-3-yl)ethyl)imidazo[1,2-a]pyrimidine-2-carboxamide
CID 46900108

Frequently Asked Questions

What is the IUPAC name of 7-(aminomethyl)-6-(2,4-dichlorophenyl)-N-(oxan-3-ylmethyl)imidazo[1,2-a]pyridine-3-carboxamide?
The IUPAC name of 7-(aminomethyl)-6-(2,4-dichlorophenyl)-N-(oxan-3-ylmethyl)imidazo[1,2-a]pyridine-3-carboxamide (CID 143550617) is 7-(aminomethyl)-6-(2,4-dichlorophenyl)-N-(oxan-3-ylmethyl)imidazo[1,2-a]pyridine-3-carboxamide.
What is the SMILES notation for 7-(aminomethyl)-6-(2,4-dichlorophenyl)-N-(oxan-3-ylmethyl)imidazo[1,2-a]pyridine-3-carboxamide?
The canonical SMILES for 7-(aminomethyl)-6-(2,4-dichlorophenyl)-N-(oxan-3-ylmethyl)imidazo[1,2-a]pyridine-3-carboxamide is NCc1cc2ncc(C(=O)NCC3CCCOC3)n2cc1-c1ccc(Cl)cc1Cl.
What is the InChIKey of 7-(aminomethyl)-6-(2,4-dichlorophenyl)-N-(oxan-3-ylmethyl)imidazo[1,2-a]pyridine-3-carboxamide?
The InChIKey is MTNMWIPJBWFMDJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H22Cl2N4O2/c22-15-3-4-16(18(23)7-15)17-11-27-19(10-25-20(27)6-14(17)8-24)21(28)26-9-13-2-1-5-29-12-13/h3-4,6-7,10-11,13H,1-2,5,8-9,12,24H2,(H,26,28).
What are the key properties of 7-(aminomethyl)-6-(2,4-dichlorophenyl)-N-(oxan-3-ylmethyl)imidazo[1,2-a]pyridine-3-carboxamide?
7-(aminomethyl)-6-(2,4-dichlorophenyl)-N-(oxan-3-ylmethyl)imidazo[1,2-a]pyridine-3-carboxamide has a molecular weight of 433.34 g/mol, XLogP of 3.92, 5 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 7-(aminomethyl)-6-(2,4-dichlorophenyl)-N-(oxan-3-ylmethyl)imidazo[1,2-a]pyridine-3-carboxamide is sourced from PubChem (CID 143550617), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).